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Ultrathin (1–4 nm) films of wide-bandgap semiconductors are important to many applications in microelectronics, and the film properties can be sensitively affected by defects especially at the substrate/film interface. Motivated by this, an in vacuo atomic layer deposition (ALD) was developed for the synthesis of ultrathin films of Ga2O3/Al2O3 atomic layer stacks (ALSs) on Al electrodes. It is found that the Ga2O3/Al2O3 ALS can form an interface with the Al electrode with negligible interfacial defects under the optimal ALD condition whether the starting atomic layer is Ga2O3 or Al2O3. Such an interface is the key to achieving an optimal and tunable electronic structure and dielectric properties in Ga2O3/Al2O3 ALS ultrathin films. In situ scanning tunneling spectroscopy confirms that the electronic structure of Ga2O3/Al2O3 ALS can have tunable bandgaps (Eg) between ∼2.0 eV for 100% Ga2O3 and ∼3.4 eV for 100% Al2O3. With variable ratios of Ga:Al, the measured Eg exhibits significant non-linearity, agreeing with the density functional theory simulation, and tunable carrier concentration. Furthermore, the dielectric constant ε of ultrathin Ga2O3/Al2O3 ALS capacitors is tunable through the variation in the ratio of the constituent Ga2O3 and Al2O3 atomic layer numbers from 9.83 for 100% Ga2O3 to 8.28 for 100% Al2O3. The high ɛ leads to excellent effective oxide thickness ∼1.7–2.1 nm for the ultrathin Ga2O3/Al2O3 ALS, which is comparable to that of high-K dielectric materials. [ABSTRACT FROM AUTHOR]

The static electric dipole–dipole coupling between donor–acceptor pairs (DAPs) in wide-bandgap semiconductors has recently emerged as a means of realizing a quantum science platform through optically controllable, long-range interactions between defects in the solid state. In this work, we generalize DAPs to consider arbitrary dopant populations and demonstrate that the charge of the NV center in diamond is well suited for quantum science. Explicitly, we leverage experimental results [see Z. Yuan et al., PRR 2, 033263 (2020)] to show that shallow NV centers can be efficiently initialized to a given relative population of the negative and neutral charge states and that modulating the surface termination would allow for control of the timescale over which the initialization and subsequent computations would occur. Furthermore, we argue that the observation of electroluminescence from the neutral charge state of the NV center [see N. Mizuochi et al., Nat. Photon. 6, 299 (2012)], but not from the negative charge state, implies the ability to interface with the NV center's charge in a manner analogous to the spin interface enabled by the spin-state dependent fluorescence of the NV center. [ABSTRACT FROM AUTHOR]

This paper reports the changes in morphology and topographic roughness on the surface of a pristine TlGaS e 2 layered crystal caused by an external electric field applied perpendicular to the layer plane at room temperature. These electric-field-induced surface reconstructions and modifications in the TlGaS e 2 sample were monitored through x-ray reflectivity, x-ray diffraction, and atomic force microscopy techniques. Two distinct electric-field-induced surface responses have been observed: the shifting of the XRD peaks to the higher Bragg angles and the variations in the XRR curves depending on the strength and polarity of the applied external electric fields. AFM results show that the applied electric field leads to a reproducible transformation of the surface roughness of the TlGaS e 2 single crystal from smooth to disheveled, with well-defined depth protrusions. The relaxation time of these surface topological configurations induced under an applied dc electric field was found to be much longer than a few days. The electrostatic capacitive behavior of this two-dimensional semiconducting material is believed to be caused by lattice distortions and the formation of inner stresses (strains) during electric field poling, as well as a drop in the unit-cell characteristics of TlGaSe2. The current–voltage (I–V) measurements show a pronounced nonlinear relationship for a previously poled sample. This nonlinearity is attributed to the field-effect-induced capacitance in TlGaS e 2. Electromigration of intrinsic defects such as Se-anion vacancies, which are already present in the crystal lattice structure of virgin TlGaS e 2 , may diffuse into the sample surface from a bulk (or vice versa) during electric field applications. Finally, employing DFT simulations, we present that the Se-anion vacancy model may be beneficial because changes in the charge state of metal ions positioned around selenium vacancies could be expected. The slightly asymmetric capacitance with respect to the polarity of the bias potential applied to the top surface of TlGaS e 2 is justified by our theoretical calculations. [ABSTRACT FROM AUTHOR]

Irradiation of semiconductors by energetic beams generates excess electrons and holes and may cause device degradation or failure. Both gradual degradation by total ionizing radiation (TID) and sudden degradation/failure (soft/hard breakdown) by a combination of energetic heavy ions and high voltages (typically single-event effects or SEEs) are mediated by excess carriers. The role of defect dynamics in TID degradation has been adequately understood by a combination of experiments and density-functional-theory (DFT) quantum calculations, but little has been done so far to document a role for ion-induced defects in SEE. Here, we report proof-of-principle DFT calculations in a model cubic GaN system for two defect-related excess-carrier phenomena that can play a role in various forms of device degradation and failure. The first phenomenon is the existence, dynamics, and potential roles of defect-induced quasi-localized "resonant states" in the energy-band continua. These states can enhance TID-excess-carrier and hot-carrier degradation. Furthermore, they evolve and multiply during energetic-ion-induced atom recoils and defect creation (displacement damage) and can potentially serve as excess-carrier conduction paths in SEE. The second phenomenon is the conversion of isolated vacancies into nanovoids that can participate in the formation of conducting defect "nanowires" dressed by resonances or in explosive SEE hard breakdowns. [ABSTRACT FROM AUTHOR]

The ultra-wide bandgap of gallium oxide provides a rich plethora of electrically active defects. Understanding and controlling such defects is of crucial importance in mature device processing. Deep-level transient spectroscopy is one of the most sensitive techniques for measuring electrically active defects in semiconductors and, hence, a key technique for progress toward gallium oxide-based components, including Schottky barrier diodes and field-effect transistors. However, deep-level transient spectroscopy does not provide chemical or configurational information about the defect signature and must, therefore, be combined with other experimental techniques or theoretical modeling to gain a deeper understanding of the defect physics. Here, we discuss the current status regarding the identification of electrically active defects in beta-phase gallium oxide, as observed by deep-level transient spectroscopy and supported by first-principles defect calculations based on the density functional theory. We also discuss the coordinated use of the experiment and theory as a powerful approach for studying electrically active defects and highlight some of the interesting but challenging issues related to the characterization and control of defects in this fascinating material. [ABSTRACT FROM AUTHOR]

Since the 1940s, it has been known that diffusion in crystalline solids occurs due to lattice defects. The diffusion of defects can have a great impact on the processing and heat treatment of materials as the microstructural changes caused by diffusion can influence the material qualities and properties. It is, therefore, vital to be able to control the diffusion. This implies that we need a deep understanding of the interactions between impurities, matrix atoms, and intrinsic defects. The role of density functional theory (DFT) calculations in solid-state diffusion studies has become considerable. The main parameters to obtain in defect diffusion studies with DFT are formation energies, binding energies, and migration barriers. In particular, the utilization of the nudged elastic band and the dimer methods has improved the accuracy of these parameters. In systematic diffusion studies, the combination of experimentally obtained results and theoretical predictions can reveal information about the atomic diffusion processes. The combination of the theoretical predictions and the experimental results gives a unique opportunity to compare parameters found from the different methods and gain knowledge about atomic migration. In this Perspective paper, we present case studies on defect diffusion in wide bandgap semiconductors. The case studies cover examples from the three diffusion models: free diffusion, trap-limited diffusion, and reaction diffusion. We focus on the role of DFT in these studies combined with results obtained with the experimental techniques secondary ion mass spectrometry and deep-level transient spectroscopy combined with diffusion simulations. [ABSTRACT FROM AUTHOR]

The concentration of vacancies and impurities in semiconductors plays a crucial role in determining their electrical, optical, and thermal properties. This study aims to clarify the nature of the interaction between positrons and ionized p-type impurities, emphasizing the similarities they share with the interaction between holes and this type of impurity. An overall strategy for investigating defects in semiconductor crystals that exhibit a combination of vacancies and p-type impurities is presented. By using positron annihilation spectroscopy, in particular, Doppler broadening of the annihilation radiation, we quantify the concentration of vacancies in epitaxial Si crystals grown by low-energy plasma-enhanced chemical vapor deposition. The vacancy number densities that we find are (1.2 ± 1.0) × 1017 cm−3 and (3.2 ± 1.5) × 1020 cm−3 for growth rates of 0.27 and 4.9 nm/s, respectively. Subsequent extended annealing of the Si samples effectively reduces the vacancy density below the sensitivity threshold of the positron technique. Secondary ion mass spectrometry indicates that the boron doping remains unaffected during the annealing treatment intended for vacancy removal. This study provides valuable insights into the intricate interplay between vacancies and ionized impurities with positrons in semiconductor crystals. The obtained results contribute to advance the control and understanding of material properties in heterostructures by emphasizing the significance of managing vacancy and dopant concentrations. [ABSTRACT FROM AUTHOR]

Electronic relaxation dynamics of solution-phase redox-exfoliated molybdenum disulfide (MoS2) monolayer and multilayer ensembles are described. MoS2 was exfoliated using polyoxometalate (POM) reductants. This process yields a colloidal heterostructure consisting of MoS2 2D sheet multilayers with surface-bound POM complexes. Using two-dimensional electronic spectroscopy, transient bleaching and photoinduced absorption signals were detected at excitation/detection energies of 1.82/1.87 and 1.82/1.80 eV, respectively. Approximate 100-fs bandgap renormalization (BGR) and subsequent defect- and phonon-mediated relaxation on the picosecond timescale were resolved for several MoS2 thicknesses spanning from 1 to 2 L to ∼20 L. BGR rates were independent of sample thickness and slightly slower than observations for chemical vapor deposition-grown MoS2 monolayers. However, defect-mediated relaxation accelerated ∼10-fold with increased sample thicknesses. The relaxation rates increased from 0.33 ± 0.05 to 1.2 ± 0.1 and 3.1 ± 0.4 ps−1 for 1–2 L, 3–4 L, and 20 L fractions. The thicknesses-dependent relaxation rates for POM-MoS2 heterostructures were modeled using a saturating exponential function that showed saturation at thirteen MoS2 layers. The results suggest that the increased POM surface coverage leads to larger defect density in the POM-MoS2 heterostructure. These are the first descriptions of the influence of sample thickness on electronic relaxation rates in solution-phase redox-exfoliated POM-MoS2 heterostructures. Outcomes of this work are expected to impact the development of solution-phase exfoliation of 2D metal-chalcogenide heterostructures. [ABSTRACT FROM AUTHOR]

This document is a tribute to Dr. Wladyslaw Walukiewicz, a renowned scientist in the field of compound semiconductors, who passed away in 2022. Dr. Walukiewicz made significant contributions to multiple scientific topics throughout his career and brought together a global community of researchers. His work focused on understanding defects in semiconductors and their impact on material and device performance. The document highlights some of his key achievements, including his research on carrier mobilities, doping limits, band structures, and the discovery of the narrow band gap of InN. The document also mentions a special topic in the Journal of Applied Physics dedicated to Dr. Walukiewicz, which includes various papers that build on his concepts and insights. The authors of the document express their fond memories of Dr. Walukiewicz and his contributions to the scientific community. [Extracted from the article]

Two-dimensional (2D) transition metal dichalcogenides (TMDs) hold immense promise as ultrathin-body semiconductors for cutting-edge electronics and optoelectronics. In particular, their sustained charge mobility even at atomic-level thickness as well as their absence of surface dangling bonds, versatile band structures, and silicon-compatibility integration make them a prime candidate for device applications in both academic and industrial domains. Despite such high expectations, group-VI TMDs reportedly exhibit a range of enigmatic properties, such as substantial contact resistance, Fermi level pinning, and limited unipolar charge transport, which are all rooted in their inherent defects. In other words, intrinsic physical properties resulting from their native defects extend their influence beyond the material level. Bridging point-defect-induced material properties and their behavior at the device level, this Perspective sheds light on the significance of crystalline defects beyond a rather simple defect–property relationship. As a distinctive approach, we briefly review the well-established defect model of conventional III–V semiconductors and further apply it to the emergent defect behaviors of 2D TMDs such as their defect-induced gap states. Within the main discussion, we survey a range of behaviors caused by the most prevalent intrinsic defect, namely, vacancies, within 2D TMDs, and their implications for electronic and optoelectronic properties when employed at the device level. This review presents an in-depth summary of complexities in material properties as well as device characteristics arising from intrinsic point defects and provides a solid foundation for the cross-links among native defects and material/device properties. [ABSTRACT FROM AUTHOR]

This Perspective focuses on experimental and theoretical aspects of positron annihilation spectroscopy. This set of methods is highly suitable for identifying and quantifying vacancy-type defects in semiconductors and also allows for analyzing their physics characteristics. We present selected examples from the past decade, where the methods have been used for obtaining timely and useful insights into the defect-controlled phenomenon in narrow-gap (Ge, GaSb) and wide-gap (III-nitride, oxide) semiconductors. We also discuss possible future developments that may allow more detailed studies in novel semiconductor materials and devices with ever more complex lattice structures. [ABSTRACT FROM AUTHOR]

Radiation damage in semiconductor materials is a crucial concern for electronic applications, especially in the fields of space, military, nuclear, and medical electronics. With the advancements in semiconductor fabrication techniques and the trend of miniaturization, the quality of semiconductor materials and their susceptibility to radiation-induced defects have become more important than ever. In this context, machine learning (ML) algorithms have emerged as a promising tool to study minor radiation-induced defects in semiconductor materials. In this study, we propose a sensitive non-destructive technique for investigating radiation-induced defects using multivariate statistical analyses combined with Raman spectroscopy. Raman spectroscopy is a contactless and non-destructive method widely used to characterize semiconductor materials and their defects. The multivariate statistical methods applied in analyzing the Raman spectra provide high sensitivity in detecting minor radiation-induced defects. The proposed technique was demonstrated by categorizing 100–500 kGy irradiated GaAs wafers into samples with low and high irradiation levels using linear discrimination analysis ML algorithms. Despite the high similarity in the obtained Raman spectra, the ML algorithms correctly predicted the blind testing samples, highlighting the effectiveness of ML in defect study. This study provides a promising approach for detecting minor radiation-induced defects in semiconductor materials and can be extended to other semiconductor materials and devices. [ABSTRACT FROM AUTHOR]

Halide perovskites are essential materials for hard radiation detectors at ambient temperature. To improve detector performance, charge transport must be investigated and optimized. Using photoluminescence (PL) and thermally stimulated current (TSC) spectroscopies, we investigate photogenerated charge carriers in Bridgman-grown CsPbBr3 single crystals to understand the nature of charge transport. PL spectroscopy of these halide perovskites revealed the presence of strong emission bands at the band edge, which were attributed to free or bound excitons. It is shown that a wide broadening of the excitonic linewidth in these halide perovskites arises from strong exciton–phonon coupling, which is substantially dominated by longitudinal optical phonons via Fröhlich interaction. An additional contribution due to the presence of ionized impurities was also observed. Crystals with a detectable sensitivity to high-energy gamma radiation are characterized by a higher intensity and a narrower linewidth of the principal PL peak at 2.326 eV. Defect states beyond 2.214 eV have a negative impact on detector sensitivity to high-energy gamma radiation. TSC spectroscopy reveals an array of trap levels spanning 0.15–0.70 eV, attributed to intrinsic point defects and multiple extrinsic defects involving dopants or impurities. Defects identified included Cs and Br vacancies, as well as Pb interstitials with concentrations in the 1011–1016 cm−3 range. Understanding how the synthesis process impacts the types and concentrations of the defects present is currently under investigation. Elimination or suppression of the defect/trap states should result in halide perovskite materials with longer carrier diffusion lengths and improved detector characteristics. [ABSTRACT FROM AUTHOR]

Harnessing the boundless solar energy, photovoltaic cells emerge as pivotal players in the world's sustainable energy landscape. The efficiency of solar cells is intimately tied to the carrier properties influenced by defects and impurities within the sunlight-absorbing semiconductors. In this Perspective, we offer a brief overview of recent advances in exploring doping properties with a focus on three vital thin-film photovoltaic semiconductors: CdTe, CIGS, and halide perovskites. Our discourse encompasses their electronic band structure, intrinsic and extrinsic doping behaviors, defect-assisted nonradiative recombination losses, as well as promising strategies poised to enhance solar cell efficiency. Additionally, we discuss several lingering challenges associated with defects in the advancement of photovoltaic technologies. [ABSTRACT FROM AUTHOR]

Transition state calculation is a critical technique to understand and predict versatile dynamical phenomena in solids. However, the transition state results obtained at 0 K are often utilized for the prediction or interpretation of dynamical processes at high temperatures, and the error bars of such an approximation are largely unknown. In this benchmark study, all the major temperature effects, including lattice expansion, lattice vibration, electron excitation, and band-edge shift, are evaluated with first-principles calculations for defect diffusion in solids. With the inclusion of these temperature effects, the notable discrepancies between theoretical predictions at 0 K and the experimental diffusivities at high temperatures are dramatically reduced. In particular, we find that lattice expansion and lattice vibration are the dominant factors lowering the defect formation energies and hopping barriers at high temperatures, but the electron excitation exhibits minor effects. In sharp contrast to typical assumptions, the attempt frequency with lattice expansion and vibration varies significantly with materials: several THz for aluminum bulk but surprisingly over 500 THz for 4H-SiC. For defects in semiconductors, the band-edge shift is also significant at high temperatures and plays a vital role in defect diffusion. We expect that this study would help accurately predict the dynamical processes at high temperatures. [ABSTRACT FROM AUTHOR]

Magnetic semiconducting materials offer tremendous prospects for spin electronics but is challenging to achieve room-temperature ferromagnetism with unambiguous origin. Herein, a non-stoichiometry strategy is proposed to induce tunable magnetization in MoSe2−x nanoflowers via vacancy-controlled 2H–1T phase transition. The resultant MoSe2−x exhibits robust room-temperature ferromagnetism with significant positive correlation to the content of 1T phase and 2H–1T interfaces. Significant magnetic hysteresis and Curie transition above room temperature have been achieved, confirming the ferromagnetic feature of MoSe2−x. To examine the origin of ferromagnetism, formation energy and spin-polarized calculations have been conducted, indicating that the Se vacancy is beneficial for the formation of the 1T phase and interfacial spin polarization. Localized magnetic moments induced at the 2H–1T interfaces exhibit enhanced magnetism as compared to the net moments from the 1T orbital splitting, giving rise to strong coupling bound magnetic polarons. This work not only advances the understanding on the origin of magnetism in magnetic semiconductors, but also provides an effective route to generate ferromagnetism by defect and/or interface engineering that could be applied to multiferroics, spintronics, and valleytronics. [ABSTRACT FROM AUTHOR]

Optically active spin defects in semiconductors can serve as spin-to-photon interfaces, key components in quantum technologies. Silicon carbide (SiC) is a promising host of spin defects thanks to its wide bandgap and well-established crystal growth and device technologies. In this study, we investigated the oxygen-vacancy complexes as potential spin defects in SiC by means of ab initio calculations. We found that the OCVSi defect has a substantially low formation energy compared with its counterpart, OSiVC, regardless of the Fermi level position. The OCVSi defect is stable in its neutral charge state with a high-spin ground state (S = 1) within a wide energy range near the midgap energy. The zero-phonon line (ZPL) of the OCVSi0 defect lies in the near-infrared regime, 1.11–1.24 eV (1004–1117 nm). The radiative lifetime for the ZPL transition of the defect in kk configuration is fairly short (12.5 ns). Furthermore, the estimated Debye–Waller factor for the optical transition is 13.4%, indicating a large weight of ZPL in the photoluminescence spectrum. All together, we conclude that the OCVSi0 defect possesses desirable spin and optical properties and thus is potentially attractive as a quantum bit. [ABSTRACT FROM AUTHOR]

We investigate the band structure of metal-dielectric photonic crystals comprising stacked organic semiconductor microcavities with silver metal mirrors incorporating crystal defects: individual unit cells with aperiodic dimensionality. Both transfer matrix simulation and experimental verification are performed to investigate the impact on the photonic band structure as a single cavity is varied in size. The resulting mid-gap defect states are shown to hybridize with a photonic band at certain resonant dimensions. The resonance of the defect cavity affects the transmittance of light through the device, disrupting or enhancing the coupling between otherwise resonant cavities. We outline potential applications for defect engineering of these devices through controlled manipulation of the transmission spectrum. [ABSTRACT FROM AUTHOR]

In a previous study, puzzling experimental results regarding the neutralization of N effects on the bandgap energy in the hydrogenated In0.21Ga0.79As0.975N0.025 alloy were explained by theoretical investigations revealing the occurrence of a novel phenomenon: thermal annealing changes the InGaAs host‐matrix by making it able to exert a selection of the N–H complexes responsible of the N neutralization. In view of technological applications of this effect, the underlying selective host‐matrix model was carefully checked here by theoretically investigating InGaAsN alloys of different compositions ranging from Ga‐rich to In‐rich. As a most important result, such an extensive investigation inspired a comprehensive explanation of the origin of the host‐matrix effect which clarifies how the effect works, firmly establishes its occurrence, gives indications for a bandgap tuning based on a matrix design, sets conditions for its extension to other III‐V‐N alloys and suggests ways to induce fine changes of the alloy mechanical behavior. [ABSTRACT FROM AUTHOR]

Wave packets propagating in inhomogeneous media experience a coupling between internal and external degrees of freedom and, as a consequence, follow spin-dependent trajectories. These phenomena, well known in optics and condensed matter physics, are referred to as spin Hall effects. Similarly, the gravitational spin Hall effect is expected to affect the propagation of gravitational waves on curved spacetimes. In this general-relativistic setup, the curvature of spacetime acts as impurities in a semiconductor or inhomogeneities in an optical medium, leading to a frequency- and polarization-dependent propagation of wave packets. In this letter, we study this effect for strong-field lensed gravitational waves generated in hierarchical triple black hole systems in which a stellar-mass binary merges near a more massive black hole. We calculate how the gravitational spin Hall effect modifies the gravitational waveforms and show its potential for experimental observation. If detected, these effects will have profound implications for astrophysics and tests of general relativity. [ABSTRACT FROM AUTHOR]

In semiconductor materials, doping is used mainly for controlling the electrical properties. There have been attempts to grow low‐resistivity n‐type gallium nitride (GaN) crystals by doping oxygen, germanium, and silicon, because a low‐resistivity GaN substrate is required to reduce the power losses of optical and electrical devices. However, in those efforts, the crystal color turns black with the increase in the concentration of the n‐type additives, even though they are shallow donors. Herein, it is explained why heavily doped n‐type GaN crystals exhibit low transparency. From optical absorption profiles, the appearance of a band tail from the band edge to 1.5 eV is observed. Considering the band tail theory and our observations, it is concluded that Ga vacancy or Ga vacancy complexes behaving as acceptors induce the band tail and the black color. It is proposed that neutralizing the high charge of defects ensures that low‐colored GaN crystals with low resistivity can be obtained. Moreover, the fabrication of low‐resistivity wafers sliced from a large crystal with a laser produces inexpensive wafers and allows the spread of high‐efficiency GaN devices fabricated on low‐resistivity substrates for saving electric power. [ABSTRACT FROM AUTHOR]

Ag2Se is categorized as a typical ′phonon‐liquid‐electron‐crystal (PLEC)′material, exhibiting an extremely low κl ${{\kappa }_{l}}$. In this study, Al substituted Ag2Se samples were synthesized by mechanical alloying process followed by hot press densification technique. The Al substituted sample shows an exceptionally high mobility of 2360 cm2 V−1 S−1 at room temperature and a maximum power factor of 1442 μWm−1 K−2 at 383 K. The phonon scattering induced by various crystal imperfections due to Al substitution helped to obtain a very low lattice thermal conductivity κl ${\left({\kappa }_{l}\right)}$ value of 0.3 W/mK. A high figure of merit (zT) of 0.4 at 383 K was obtained as a result of the simultaneous effect of boosting the electrical transport properties and decreasing the thermal conductivity. This present work summarizes that the Al substitution is highly significant in improving the thermoelectric properties of Ag2Se. [ABSTRACT FROM AUTHOR]

CdZnTe-based detectors are highly valued because of their high spectral resolution, which is an essential feature for nuclear medical imaging. However, this resolution is compromised when there are substantial defects in the CdZnTe crystals. In this study, we present a learning-based approach to determine the spatially dependent bulk properties and defects in semiconductor detectors. This characterization allows us to mitigate and compensate for the undesired effects caused by crystal impurities. We tested our model with computer-generated noise-free input data, where it showed excellent accuracy, achieving an average RMSE of 0.43% between the predicted and the ground truth crystal properties. In addition, a sensitivity analysis was performed to determine the effect of noisy data on the accuracy of the model. [ABSTRACT FROM AUTHOR]

Crafting an inorganic semiconductor heterojunction with defect engineering and morphology modulation is a strategic approach to produce clean energy by the highly efficient light-driven splitting of water. In this paper, a novel Z-scheme sulfur-vacancy containing Zn 3 In 2 S 6 (Vs-Zn 3 In 2 S 6) nanosheets/In 2 O 3 hollow hexagonal prisms heterostructrue (Vs-ZIS6INO) was firstly constructed by an oil bath method, in which Vs-Zn 3 In 2 S 6 nanosheets grew on the surfaces of In 2 O 3 hollow hexagonal prisms to form a hollow core–shell structure. The obtained Vs-ZIS6INO heterostructrue exhibited much enhanced activity of the production of H 2 and H 2 O 2 by the light-driven water splitting. In particular, under visible light irradiation (λ > 420 nm), the rate of generation of H 2 of Vs-ZIS6INO sample containing 30 wt% Vs-Zn 3 In 2 S 6 (30Vs-ZIS6INO) could reach 3721 μmol g–1h−1, which was 87 and 6 times higher than those of Zn 3 In 2 S 6 (43 μmol g–1h−1) and Vs-Zn 3 In 2 S 6 (586 μmol g–1h−1), respectively. Meanwhile, 30Vs-ZIS6INO could exhibit the rate of H 2 O 2 production of 483 μmol g–1h−1 through the dual pathways of indirect 2e– oxygen reduction (ORR) and water oxidation (WOR) without adding any sacrifice agents, far exceeding In 2 O 3 (7 μmol g–1h−1) and Vs-Zn 3 In 2 S 6 (58 μmol g–1h−1). The excellent photocatalytic activities of H 2 and H 2 O 2 generations of Vs-ZIS6INO sample might result from the synergistic effect of the sulfur vacancy, hollow core–shell structure, and Z-scheme heterostructure, which accelerated the electron delocalization, enhanced the absorption and conversion of solar energy, reduced the carrier diffusion distance, and ensured high REDOX ability. In addition, the possible photocatalytic mechanisms for the production of H 2 and H 2 O 2 were discussed in detail. This study provided a new idea and reference for constructing the novel and efficient inorganic semiconductor heterostructures by coordinating vacancy defect and morphology design to adequately utilize water splitting for the production of clean energy. [ABSTRACT FROM AUTHOR]

Direct photocatalytic conversion of benzene to phenol with molecular oxygen (O2) is a green alternative to the traditional synthesis. The key is to find an effective photocatalyst to do the trick. Defect engineering of semiconductors with oxygen vacancies (OVs) is an emerging strategy for catalyst fabrication. OVs can trap electrons to promote charge separation and serving as adsorption sites for O2 activation. However, the randomly distribution of OVs on the semiconductor surface often results in mismatching the charge carrier dynamics under irradiation, thus failing to fulfill the unique advantages of OVs for photoredox functions. Herein, we demonstrate that abundant OVs can be facilely generated and precisely located adjacent to the reductive sites on reducible oxide semiconductors such as tungsten oxide (WO3) via a simple photochemistry strategy. Such photoinduced OVs are well suited for photocatalytic benzene oxidation with O2 as they readily capture photogenerated electrons from the reductive sites of WO3 to activate adsorbed O2. The oxygen‐isotope‐labeling experiments further confirm that the OVs also facilitate the integration of oxygen atoms from O2 into phenol, revealing in detail the pathway for photocatalytic benzene hydroxylation. This study demonstrates that the photochemistry approach is an appealing strategy for the synthesis of high‐performance OVs‐rich photocatalysts for solar‐induced chemical conversion. [ABSTRACT FROM AUTHOR]

Solution-processable semiconductors hold promise in enabling applications requiring cost-effective electronics at scale but suffer from low performance limited by defects. We show that ordered defect compound semiconductor CuIn5Se8, which forms regular defect complexes with defect-pair compensation, can simultaneously achieve high performance and solution processability. CuIn5Se8 transistors exhibit defect-tolerant, band-like transport supplying an output current above 35 microamperes per micrometer, with a large on/off ratio greater than 106, a small subthreshold swing of 189 ± 21 millivolts per decade, and a high field-effect mobility of 58 ± 10 square centimeters per volt per second, with excellent uniformity and stability, superior to devices built on its less defective parent compound CuInSe2, analogous binary compound In2Se3, and other solution-deposited semiconductors. They can be monolithically integrated with carbon nanotube transistors to form high-speed and low-voltage three-dimensional complementary logic circuits and with micro-light-emitting diodes to realize high-resolution displays. [ABSTRACT FROM AUTHOR]

The transmission electron microscope (TEM) is a powerful imaging, diffraction and spectroscopy tool that has revolutionized the field of microscopy. It has contributed to numerous breakthroughs in various scientific disciplines. TEM-based techniques can offer atomic resolution as well as elemental analysis, which benefit the study of epitaxial semiconductors and their related optoelectronic devices on the atomic scale. The design and optimization of the device performance depend on three key factors: the control of strain at nanometer scale, control of the formation and propagation of defects as well as the control of local electronic properties. Manipulation and optimization are only possible if the key factors can be characterized precisely. Herein, the TEM techniques for strain analysis, defect characterization and bandgap evaluation are reviewed and discussed. Lately, with the development of in-situ TEM techniques, researchers have been able to observe dynamic processes and study the behaviour of materials and devices under realistic conditions (in gaseous atmosphere or in liquids, at elevated or cryogenic temperatures, under strain, bias or illumination) in real-time with extremely high spatial resolution. This review explores the impact and significance of in-situ TEM in the field of semiconductors. [ABSTRACT FROM AUTHOR]

Free of posttransfer, on-surface synthesis (OSS) of single-atomic-layer nanostructures directly on semiconductors holds considerable potential for next-generation devices. However, due to the high diffusion barrier and abundant defects on semiconductor surfaces, extended and well-defined OSS on semiconductors has major difficulty. Furthermore, given semiconductors' limited thermal catalytic activity, initiating high-barrier reactions remains a significant challenge. Herein, using TiO2(011) as a prototype, we present an effective strategy for steering the molecule adsorption and reaction processes on semiconductors, delivering lengthy graphene nanoribbons with extendable widths. By introducing interstitial titanium (Tiint) and oxygen vacancies (Ov), we convert TiO2(011) from a passive supporting template into a metal-like catalytic platform. This regulation shifts electron density and surface dipoles, resulting in tunable catalytic activity together with varied molecule adsorption and diffusion. Cyclodehydrogenation, which is inefficient on pristine TiO2(011), is markedly improved on Tiint/Ov-doped TiO2. Even interribbon cyclodehydrogenation is achieved. The final product's dimensions, quality, and coverage are all controllable. Tiint doping outperforms Ov in producing regular and prolonged products, whereas excessive Tiint compromises molecule landing and coupling. This work demonstrates the crucial role of semiconductor substrates in OSS and advances OSS on semiconductors from an empirical trial-and-error methodology to a systematic and controllable paradigm. [ABSTRACT FROM AUTHOR]

β-gallium oxide (β-Ga2O3), as the typical representative of the fourth generation of semiconductors, has attracted increasing attention owing to its ultra-wide bandgap, superior optical properties, and excellent tolerance to high temperature and radiation. Compared to the single crystals of other semiconductors, high-quality and large-size β-Ga2O3 single crystals can be grown with low-cost melting methods, making them highly competitive. In this review, the growth process, defects, and dopants of β-Ga2O3 are primarily discussed. Firstly, the growth process (e.g., decomposition, crucible corrosion, spiral growth, and development) of β-Ga2O3 single crystals are summarized and compared in detail. Then, the defects of β-Ga2O3 single crystals and the influence of defects on Schottky barrier diode (SBD) devices are emphatically discussed. Besides, the influences of impurities and intrinsic defects on the electronic and optical properties of β-Ga2O3 are also briefly discussed. Concluding this comprehensive analysis, the article offers a concise summary of the current state, challenges and prospects of β-Ga2O3 single crystals. [ABSTRACT FROM AUTHOR]

Cr-doped In2O3 nanoparticles have been prepared via combustion method. Glycine fuel was used for the synthesis. The prepared compounds were evaluated for their potential as a dilute magnetic semiconductor (DMS) by studying their magnetic properties. X-ray diffraction (XRD) pattern was studied to identify the crystal structure of pristine and doped In2O3 compounds. Morphology and particle size of the compounds have been estimated using transmission electron microscope (TEM). Valence state of the elements was found out by making use of X-ray photoelectron spectroscopy (XPS) technique. Electrical resistivity has been measured which displayed higher resistance value for doped samples. Magnetisation studied with vibrating sample magnetometer (VSM) at room temperature displayed weak ferromagnetism in the doped samples. The measurements at 50 K displayed antiferromagnetic/paramagnetic alignment. The importance of preparative method, nano-size, room-temperature defects and oxygen vacancies in regulating magnetism in DMS has been discussed. [ABSTRACT FROM AUTHOR]

Bi(III)‐based oxides are emerging as important semiconductors for future electronic applications. Through hybrid density functional theory calculations and defect analysis, we demonstrate that ABi(III)O2 (A = Na or K) is a promising wide‐band‐gap bipolar semiconductor. Our calculations predict ABiO2 to have a large band gap of 1.97 eV for NaBiO2 and 2.77 eV for KBiO2. Unlike widely‐used oxide semiconductors such as In2O3 and ZnO, the spatially extended cation states (Bi 6s) of ABiO2 significantly contribute to the valence band maximum, enhancing p‐type dopability. We indeed show that potential acceptors, such as SrBi, produce shallow levels. In addition, n‐type doping is found to be possible through the extrinsic doping of heterovalent elements such as Te and F. The band‐structure analysis reveals that ABiO2 has small effective masses for electrons and holes (< 1m0 where m0 is the electron rest mass), indicating favorable electron and hole transport properties. [ABSTRACT FROM AUTHOR]

Bi(III)‐based oxides are emerging as important semiconductors for future electronic applications. Through hybrid density functional theory calculations and defect analysis, we demonstrate that ABi(III)O2 (A = Na or K) is a promising wide‐band‐gap bipolar semiconductor. Our calculations predict ABiO2 to have a large band gap of 1.97 eV for NaBiO2 and 2.77 eV for KBiO2. Unlike widely‐used oxide semiconductors such as In2O3 and ZnO, the spatially extended cation states (Bi 6s) of ABiO2 significantly contribute to the valence band maximum, enhancing p‐type dopability. We indeed show that potential acceptors, such as SrBi, produce shallow levels. In addition, n‐type doping is found to be possible through the extrinsic doping of heterovalent elements such as Te and F. The band‐structure analysis reveals that ABiO2 has small effective masses for electrons and holes (< 1m0 where m0 is the electron rest mass), indicating favorable electron and hole transport properties. [ABSTRACT FROM AUTHOR]

In this paper, an attempt has been made to investigate a one-dimensional photonic crystal containing N-doped germanium semiconductor as a nonlinear defect layer with an intensity-dependent refractive index, silica (SiO2) and zinc selenide (ZnSe) as crystal cells. Bistability of the TE polarization of the transmission spectrum due to the nonlinear property of the defect layer is investigated by the transfer matrix method (TMM). The refractive index of the germanium nonlinear semiconductor layer is simultaneously depending on the doping density and the intensity of the irradiated light. The changes in both factors are investigated. The impact on the transmission spectrum of the bistability threshold due to the change in the thickness of the defect layer, the thickness of other layers of crystal cells, and the angle of incident light are investigated. The nonlinear effect caused by light intensity as well as doped density effect on the germanium nonlinear semiconductor medium is used simultaneously. As a result, the nonlinear effect caused by the light intensity to create bistability is more than the doping density. [ABSTRACT FROM AUTHOR]

Due to the high carrier mobility and direct bandgap character, indium selenide (InSe) exhibits great advantages for advanced optoelectronic applications. However, the unique optical section rule in InSe weakens the light‐matter interaction when the electric field of illuminated light is perpendicular to the c‐axis of planar InSe flake. To overcome this constraint, ultramicrotome technique is introduced to achieve vertically aligned InSe ribbons, aiming to reconfigure the optical paths for improved optical absorption and device performance. The well‐designed InSe ribbons are acquired with uniform morphology, showing an integrated structure free of cracks or fragments. First, the structural symmetry, crystal orientation, and optical anisotropy of InSe ribbon are carefully revealed by polarization‐dependent Raman spectrum, second harmonic generation (SHG), and photoluminescence measurements. Then, the back focal plane (BFP) imaging of photoluminescence distinguishes the in‐plane and out‐of‐plane dipole emission of InSe ribbons and planar InSe flakes, respectively. Notably, the ribbon exhibits new PL peaks with energy lower than the exciton peak of InSe at low temperature, which is attributed to Se vacancies. The work by introducing vertically aligned InSe nanoribbons provides a new strategy to manipulate the light‐matter interactions and defect engineering for novel optoelectronics, which can be also extended to other 2D semiconductors. [ABSTRACT FROM AUTHOR]

The spin Hamiltonian parameters and defect structures are theoretically studied for the substitutional Mn2+ at the core of CdSe nanocrystals and in the bulk materials from the perturbation calculations of spin Hamiltonian parameters for trigonal tetrahedral 3d5 clusters. Both the crystal‐field and charge transfer contributions are taken into account in the calculations from the cluster approach. The impurity‐ligand bond angles are found to be about 1.84° larger and 0.10° smaller in the CdSe:Mn2+ nanocrystals and bulk materials, respectively, than those (≈109.37°) of the host Cd2+ sites. The quantitative criterion of occupation (at the core or surface) for Mn2+ in CdX (X = S, Se, Te) nanocrystals is presented for the first time based on the inequations of hyperfine structure constants (HSCs). This criterion is well supported by the experimental HSCs data of Mn2+ in CdX nanocrystals. The previous assignments of signals SI as Mn2+ at the core of CdS nanocrystals are renewed as Mn2+ at the surface based on the above criterion. The present studies would be helpful to achieve convenient determination of occupation for Mn2+ impurities in CdX semiconductor nanocrystals by means of spectral (e.g., HSCs) analysis. [ABSTRACT FROM AUTHOR]

Vertical semiconductor van der Waals heterojunctions are essential for fabricating high-performance photodetectors. However, the range of the spectral response and defect states of semiconductor materials are two critical factors affecting the performance of photodetectors. In this work, the spectral response range of WS2 was changed through WS2 band gap regulation, and a self-powered vertical WS1.08Se0.92/Si heterojunction photodetector with MXene electrode was prepared by synthesizing WS1.08Se0.92 film on Si substrate and vertically stacking Ti3C2T x MXene on the film. Due to the electron collection of MXene and the wonderful junction quality of WS1.08Se0.92/Si, the photodetector can detect near-infrared light in the range of 980–1310 nm, which exceed the detection limit of WS1.08Se0.92. And the device had high sensitivity in the broadband. The responsivity was 4.58 A W−1, the specific detectivity was 4.58 × 1011 Jones, the on/off ratio was 4.95 × 103, and the fast response time was 9.81/9.03 μ s. These properties are superior to previously reported WS2-based photodetectors. Vertical structure, Energy band tuning, and MXene electrode provide a new idea for preparing broadband high-performance and self-powered photodetector. [ABSTRACT FROM AUTHOR]

VO2 films prepared on amorphous substrates are generally nanocrystalline and have low semiconductor–metal transition (SMT) properties. The current research reported that both the undoped and Nb‐doped VO2 films, composed of differently‐orientated single‐crystalline domains, can be prepared on amorphous quartz substrates through facile annealing of sputtered precursors, with their structures, electric properties, optical properties, and thermochromism being systematically studied. The results showed that the resistance change of the undoped VO2 films across the SMT was ∼3000 times. The SMT critical temperature (Tc) of the sc‐domain VO2 films can be decreased to room temperature by the Nb doping, and the resistance change across the SMT could remain approximately two orders of magnitude higher when the Tc was decreased to 27°C. It was seen that both the semiconductor‐phase undoped and Nb‐doped VO2 films featured defect‐activated conductances, with the Nb donor ionization energy being 0.14–0.17 eV. The absorption coefficients of the VO2 films were obtained by fitting the transmittance and reflectance optical spectra with the Drude‐Lorentz dispersion model, and the Nb doping widened and merged the d|| and π* bands, with both the optical and physical gaps being decreased due to the band widening. The thermochromic performances were also studied, and the result showed that the solar light modulation could remain 90% of the undoped film when the Tc was decreased to 27°C by the Nb doping, so the Nb‐doped VO2 films can be a good candidate for preparing thermochromic energy‐saving coatings. [ABSTRACT FROM AUTHOR]

High abundance and low toxicity make zinc oxide very attractive for broad application in the field of photocatalysis for remediation of toxic compounds from water. Its performance could be elegantly improved by inducing native defects into ZnO semiconductor nanocrystals. However, this typically requires post-processing at high temperatures, during which many of the benefits of the original batch of monodisperse small grains are lost due to agglomeration and/or crystal growth. Within this research we show how variations in defect population are inherent to recrystallization process and that they can be tuned to some extent by choosing optimal pathways. The defects were studied by Raman, photoluminescence and EPR spectroscopy, while the surface chemistry of the ZnO nanorods, solvothermally recrystallized from ZnO nanodots, was evaluated by X-ray photoelectron spectroscopy. The produced nanorods with different dimensions were also utilized to show how effective the samples are for degradation of a model pollutant, namely caffeine. Unexpectedly, we found that the surface chemistry of our samples is not the main factor in photocatalytic efficiency. Instead, we show that the differences in photocatalytic activity are mainly determined by the defect population within the bulk formed during the recrystallization process under altered solvothermal conditions. [ABSTRACT FROM AUTHOR]

Detecting and analyzing various defect types in semiconductor materials is an important prerequisite for understanding the underlying mechanisms and tailoring the production processes. Analysis of microscopy images that reveal defects typically requires image analysis tasks such as segmentation and object detection. With the permanently increasing amount of data from experiments, handling these tasks manually becomes more and more impossible. In this work, we combine various image analysis and data mining techniques to create a robust and accurate, automated image analysis pipeline for extracting the type and position of all defects in a microscopy image of a KOH-etched 4H-SiC wafer. [ABSTRACT FROM AUTHOR]

Intrinsic silicon (Si) is forbidden for infrared (IR) sensing at the communication wavelength like 1.31 or 1.55 µm due to the well‐known bandgap limitation. In this work, an unexpected physical picture of using argon (Ar) is identified, which is usually inert to the surrounding chemical environment and used as a protective agent in semiconductor processing, to overcome the IR‐sensing‐forbidden problem in Si. Here, it is shown by an analysis of a dynamic secondary ion mass spectrometer that such a Si, when exposed to laser pulse in Ar gas, can contain a very high dose of Ar up to 1020 cm−3 even after 1300 days. First‐principles calculations, molecular dynamics, and Hall effect measurements reveal that, due to both steric and dynamic repulsions by Ar orbitals to Si dangling bonds, the Ar‐filled‐vacancy produces a much wider defect band inside the gap, which is not only responsible for strong infrared absorption, but also causes a significant increase in n‐type conductivity, both in line with experiments. The study proves that originally inert elements in fact can act as active impurities in semiconductors for advanced applications, which updates the current knowledge of defect physics. [ABSTRACT FROM AUTHOR]

Deep‐level defects in semiconductor materials usually induce carrier trapping and non‐radiative recombination. However, defects caused by unintentional contaminants in antimony selenide (Sb2Se3) solar cells have rarely been reported. Herein, the correlation between defect properties and unintentional impurities in the Sb2Se3 absorber is investigated, which is prepared by injection vapor deposition with Sb2Se3 source purities ranging from 99.9% to 99.9999%. The analysis of deep‐level transient spectra reveals that an increase in impurity concentration does not result in new defect types. Nevertheless, the higher impurity level causes an increase in both the defect density and the capture cross section of the original defect. To address this challenge, defect engineering is developed to regulate the growth of the Sb2Se3 absorber. This strategy completely suppresses deepest defect states E3, a mixture of intrinsic defect (SbSe) and impurity Si related defect. As a result, the carrier lifetime increases significantly from 0.37 to 3.4 ps. This enables to fabricate Sb2Se3 solar cells with a power conversion efficiency of 10.41%. This work uncovers the characteristics of unintentional contaminant‐related defects, and provides a strategy for fabricating highly efficient Sb2Se3 solar cells with low‐purity source materials. [ABSTRACT FROM AUTHOR]

Studying the thermodynamic properties of hydrogen impurity in low-dimensional nanostructures under high-pressure environment is crucial for understanding the optical property and thermal excitation behaviour of semiconductor material. Here, we extensively explore the effect of pressure on thermodynamic properties, specifically, the average energy, free energy, entropy, and heat capacity of one-dimensional (1-D) hydrogenic impurity in GaAs semiconductor quantum well. Our findings reveal some novel phenomenon in the thermodynamic properties of hydrogenic impurity as pressure increases in the GaAs quantum well. Remarkably, at a constant temperature, both the average energy and free energy of hydrogenic impurity decrease as pressure rises, while entropy increases with increasing pressure. Intriguingly, the heat capacity shows distinct behaviour with varying pressure for different sizes of the quantum well. For very small size of the quantum well, the heat capacity increases with increasing pressure. However, for larger size of the quantum wells, the variation of heat capacity with pressure becomes irregular, showing a changeover from an increase to a decrease in response to increasing pressure. This research presents a pioneering method that employs pressure as a versatile tool for modulating the thermodynamic properties of hydrogenic impurity states in the nanostructures, and has some guidance for the preparation and synthesis of semiconductor devices. [ABSTRACT FROM AUTHOR]

In smart manufacturing, semiconductors play an indispensable role in collecting, processing, and analyzing data, ultimately enabling more agile and productive operations. Given the foundational importance of wafers, the purity of a wafer is essential to maintain the integrity of the overall semiconductor fabrication. This study proposes a novel automated visual inspection (AVI) framework for scrutinizing semiconductor wafers from scratch, capable of identifying defective wafers and pinpointing the location of defects through autonomous data annotation. Initially, this proposed methodology leveraged a texture analysis method known as gray-level co-occurrence matrix (GLCM) that categorized wafer images--captured via a stroboscopic imaging system--into distinct scenarios for high- and low-resolution wafer images. GLCM approaches further allowed for a complete separation of low-resolution wafer images into defective and normal wafer images, as well as the extraction of defect images from defective low-resolution wafer images, which were used for training a convolutional neural network (CNN) model. Consequently, the CNN model excelled in localizing defects on defective low-resolution wafer images, achieving an F1 score--the harmonic mean of precision and recall metrics--exceeding 90.1%. In high-resolution wafer images, a background subtraction technique represented defects as clusters of white points. The quantity of these white points determined the defectiveness and pinpointed locations of defects on high-resolution wafer images. Lastly, the CNN implementation further enhanced performance, robustness, and consistency irrespective of variations in the ratio of white point clusters. This technique demonstrated accuracy in localizing defects on high-resolution wafer images, yielding an F1 score greater than 99.3%. [ABSTRACT FROM AUTHOR]

In practical semiconductor processes, the defect analysis for wafer map is a critical step for improving product quality and yield. These defect patterns can provide important process information so that the process engineers can identify the key cause of process anomalies. However, in supervised learning, the manual annotation for wafer maps is an extremely exhausting task, and it can also induce misjudgment when a long-term operation is implemented. Toward this end, this paper proposes a new auto-labeling system based on ensemble classification. The noted VGG16 model is used in ensemble learning as the building block to train the classifier via a limited number of labeled data. Through the model being trained, the auto-labeling procedure is executed to annotate abundant unlabeled data. Therefore, the classification performances between the models trained by supervised and semi-supervised learning can be compared. In addition, the gradient-weighted class activation mapping (Grad-CAM) is also adopted to analyze and verify the quality of auto-labeling by visual inspection. Based on the experimental results, the proposed auto-label system can return a satisfactory classification performance, and then, the manual labeling operation can be drastically reduced. The classification performance for wafer defect patterns can be further assured as the auto-labeled data are given with corresponding confidence scores of specific defect patterns being identified in this study. [ABSTRACT FROM AUTHOR]

The semiconductor minority carrier lifetime contains information about several important material properties, including Shockley–Read–Hall defect levels/concentrations and radiative/Auger recombination rates, and the complex relationships between these parameters produce a non-trivial temperature-dependence of the measured lifetime. It is tempting to fit temperature-dependent lifetime data to extract the properties of the Shockley–Read–Hall recombination centers; however, without a priori knowledge of the distribution of the Shockley–Read–Hall states across the bandgap, this fit problem is under-constrained in most circumstances. Shockley–Read–Hall lifetime data are not well-suited for the extraction of Shockley–Read–Hall defect levels but can be used effectively to extract minority carrier recombination lifetimes. The minority carrier recombination lifetime is observed at temperatures below 100 K in a Si-doped n-type InGaAs/InAsSb superlattice, and deviation from its expected temperature-dependence indicates that the capture cross section of the defect associated with Si-doping has an activation energy of 1.5 meV or a characteristic temperature of 17 K. This lower temperature regime is also preferrable for the analysis of the physics of defect introduction with displacement-damage-generating particle irradiation. [ABSTRACT FROM AUTHOR]

Thus, defects in semiconductors remain a vibrant field of research, as highlighted by the increasing attendance of the relevant international conferences, such as the International Conference on Defects in Semiconductors.[1] The research field of defects in semiconductors encompasses a wide range of topics, combining theoretical modeling and experimental investigations. Understanding defects has been a continuous endeavor in traditional semiconductors, such as silicon (Si) and gallium arsenide, and is critical in the development of new semiconductors and components. SUMMARY OF AREAS COVERED A. Defects in group IV semiconductors Semiconductors from group IV of the periodic table, such as Si and SiC, are mature materials with decades of development, including defect studies. Defects create key functionalities in semiconductor devices by contributing with charge carriers or assisting optical transitions. [Extracted from the article]

NiOx is one of the promising inorganic hole transporting materials in inverted perovskite solar cells (PSCs), however, its device efficiency and stability are still limited by the energy level mismatch, low intrinsic conductivity, high interface defect density, and complex active species. Herein, the use of an imide‐based donor–acceptor type semiconductor (BTF14) as the interlayer between perovskite and NiOx is proposed, which facilitates the hole extraction and transfer, reduces the defect density at interface and in perovskite film bulk, and further reduces the concentration of Ni>3+ species to stabilize the heterointerface. As a result, the power conversion efficiency of inverted PSCs can be significantly boosted from 22.11% of NiOx to 24.20% of NiOx/BTF14. Moreover, NiOx/BTF14 based devices also exhibit negligible hysteresis and excellent long‐term stability, with over 77% of their initial efficiency remaining after continuous operation at 60 °C for 1000 h under 1 sun illumination. [ABSTRACT FROM AUTHOR]

An innovative approach is proposed to passivate the existing defects from metal oxide semiconductors by functionalizing nontoxic bio-based substances. As a demonstration, we synthesized zinc oxide nanorods (ZnO NRs) using a hydrothermal method and incorporated chicken egg white (albumen) as a passivator to the defects. X-ray diffraction analysis of ZnO NRs shows enhanced quality and crystallinity features after incorporating albumen. XPS measurements were performed not only to introduce the chemical bonding between the albumen and the bare ZnO NRs but also specifically provide evidence of successful capping and defect passivation to the surface layer of ZnO NRs. It was observed that when the albumen was annealed, it formed sulfhydryl groups and disulfide bonds (which created disulfide bridges) from the chemical reaction in irreversible thermal denaturation. Steady-state photoluminescence of ZnO NRs showed two emission bands, i.e. near band-edge emission (NBE) and deep-level emission (DL). The NBE is significantly improved as compared to DL emission after capping and annealing the albumen, while the quenching of DL emission confirmed the reduced defects arising from the surface of ZnO NRs. The advantages and enhanced characteristics of the albumen-capped ZnO NRs led to fabricating a stable and highly efficient light-emitting device. This work opens the great potential of utilizing nontoxic and low-cost biomaterials in passivating the defects of metal oxide nanomaterials for the development of bio-inspired and stable optoelectronic devices. [ABSTRACT FROM AUTHOR]

Hexagonal boron nitride (h‐BN) is a key ingredient for various 2D van der Waals heterostructure devices, but the exact role of h‐BN encapsulation in relation to the internal defects of 2D semiconductors remains unclear. Here, it is reported that h‐BN encapsulation greatly removes the defect‐related gap states by stabilizing the chemisorbed oxygen molecules onto the defects of monolayer WS2 crystals. Electron energy loss spectroscopy (EELS) combined with theoretical analysis clearly confirms that the oxygen molecules are chemisorbed onto the defects of WS2 crystals and are fixated by h‐BN encapsulation, with excluding a possibility of oxygen molecules trapped in bubbles or wrinkles formed at the interface between WS2 and h‐BN. Optical spectroscopic studies show that h‐BN encapsulation prevents the desorption of oxygen molecules over various excitation and ambient conditions, resulting in a greatly lowered and stabilized free electron density in monolayer WS2 crystals. This suppresses the exciton annihilation processes by two orders of magnitude compared to that of bare WS2. Furthermore, the valley polarization becomes robust against the various excitation and ambient conditions in the h‐BN encapsulated WS2 crystals. [ABSTRACT FROM AUTHOR]