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Nickel-doped β-Ga2O3 crystals were investigated by optical absorption and photoconductivity, revealing Ni-related deep levels. The photoconductivity spectra were fitted using the phenomenological Kopylov and Pikhtin model to identify the energy of the zero-phonon transition (thermal ionization), Franck–Condon shift, and effective phonon energy. The resulting values are compared with the predicted ones by first-principle calculations based on the density functional theory (DFT). An acceptor level (0/−) of 1.9 eV and a donor level (+/0) of 1.1 eV above the valence band minimum are consistently determined for NiGa, which preferentially incorporates on the octahedrally coordinated Ga site. Temperature-dependent resistivity measurements yield a thermal activation energy of ∼2.0 eV that agrees well with the determined Ni acceptor level. Conclusively, Ni is an eminently suitable candidate for compensation doping for producing semi-insulating β-Ga2O3 substrates due to the position of the acceptor level (below and close to the mid-bandgap). [ABSTRACT FROM AUTHOR]

In this work, we explored the growth regime of (100) β-Ga2O3 homoepitaxial films on substrates with different miscut angles (1°, 2°, and 4°) in the MOVPE system. Under a low O2/Ga ratio growth condition, step-flow growth of (100) β-Ga2O3 homoepitaxial films can be maintained up to 3 μm on substrates with different miscut angles. Moreover, the results reveal that the growth rate decreases slightly with decreasing miscut angles, which matches estimation of the Burton–Cabrera–Frank theory and can be explained by the model of adsorption–desorption. By comparing the miscut-dependent growth rates, we give experimental evidence on the fundamental difference between the growth of (100) β-Ga2O3 films by MOVPE and MBE. In addition, a transport model is proposed to explain the desorption process in terms of the boundary layer and the kinetic resistance. [ABSTRACT FROM AUTHOR]

We have systematically studied the growth, by the Czochralski method, and basic physical properties of a 2 cm and 2 in. diameter bulk β-(AlxGa1−x)2O3 single crystal with [Al] = 0–35 mol. % in the melt in 5 mol. % steps. The segregation coefficient of Al in the Ga2O3 melt of 1.1–1.2 results in a higher Al content in the crystals than in the melt. The crystals were also co-doped with Si or Mg. [Al] = 30 mol. % in the melt (33–36 mol. % in the crystals) seems to be a limit for obtaining bulk single crystals of high structural quality suitable for homoepitaxy. The crystals were either semiconducting (no intentional co-dopants with [Al] = 0–30 mol. % and Si-doped with [Al] = 15–20 mol. %), degenerately semiconducting (Si-doped with [Al] ≤ 15 mol. %), or semi-insulating ([Al] ≥ 25 mol. % and/or Mg-doped). The full width at half maximum of the rocking curve was 30–50 arcsec. The crystals showed a linear but anisotropic decrease in all lattice constants and a linear increase in the optical bandgap (5.6 eV for [Al] = 30 mol. %). The room temperature electron mobility at similar free electron concentrations gradually decreases with [Al], presumably due to enhanced scattering at phonons as the result of a larger lattice distortion. In Si co-doped crystals, the scattering is enhanced by ionized impurities. Measured electron mobilities and bandgaps enabled to estimate the Baliga figure of merit for electronic devices. [ABSTRACT FROM AUTHOR]

In this work, the structural and electrical properties of metalorganic chemical vapor deposited Si-doped β-(AlxGa1−x)2O3 thin films grown on (010) β-Ga2O3 substrates are investigated as a function of Al composition. The room temperature Hall mobility of 101 cm2/V s and low temperature peak mobility (T = 65 K) of 1157 cm2/V s at carrier concentrations of 6.56 × 1017 and 2.30 × 1017 cm−3 are measured from 6% Al composition samples, respectively. The quantitative secondary ion mass spectroscopy (SIMS) characterization reveals a strong dependence of Si and other unintentional impurities, such as C, H, and Cl concentrations in β-(AlxGa1−x)2O3 thin films, with different Al compositions. Higher Al compositions in β-(AlxGa1−x)2O3 result in lower net carrier concentrations due to the reduction of Si incorporation efficiency and the increase of C and H impurity levels that act as compensating acceptors in β-(AlxGa1−x)2O3 films. Lowering the growth chamber pressure reduces Si concentrations in β-(AlxGa1−x)2O3 films due to the increase of Al compositions as evidenced by comprehensive SIMS and Hall characterizations. Due to the increase of lattice mismatch between the epifilm and substrate, higher Al compositions lead to cracking in β-(AlxGa1−x)2O3 films grown on β-Ga2O3 substrates. The (100) cleavage plane is identified as a major cracking plane limiting the growth of high-quality Si-doped (010) β-(AlxGa1−x)2O3 films beyond the critical thicknesses, which leads to highly anisotropic and inhomogeneous behaviors in terms of conductivity. [ABSTRACT FROM AUTHOR]

In this work, we have investigated plasma-assisted deposition of Al2O3 on HVPE (001) β-Ga2O3 and evaluated the dielectric quality from electrical measurements on fabricated metal-oxide-semiconductor (MOS) capacitors. The interface structure and crystallinity of the films were investigated as a function of the growth temperature. The dielectric/semiconductor interfaces were found to have reverse breakdown electric fields up to 5.3 MV/cm in the β-Ga2O3, with relatively low hysteresis in capacitance–voltage and low leakage current. We determined a negative fixed interface charge density at the interface from analysis of thickness-dependent capacitance voltage data. This study shows the advantage of using plasma-assisted deposition to achieve high breakdown strength Al2O3/β-Ga2O3 MOS structures for device application purposes. [ABSTRACT FROM AUTHOR]

In this work, we analyze the optimum annealing conditions for the activation of Ge-implanted β-Ga2O3 in order to reach low ohmic contact resistances. The experiments involved the use of a pulsed rapid thermal annealing treatment at temperatures between 900 and 1200 °C in nitrogen atmosphere. Our investigations show remarkable changes in the surface morphology involving increased surface roughness after high-temperature annealing above 1000 °C as well as a significant redistribution of the implanted Ge. Nevertheless, the specific contact resistance is strongly reduced by one order of magnitude after annealing at 1100 °C, reaching a record value of 4.8 × 10−7 Ω cm2 at an implantation activation efficiency of 14.2%. The highest activation efficiency of 19.2% and lowest sheet resistances were reached upon annealing at 1200 °C, which, in turn, showed inferior ohmic contact properties due to a severe increase of the surface roughness. Our results verify the high potential of applying high-temperature annealing processes above 1000 °C after Ge implantation for reaching low ohmic contact resistances to β-Ga2O3. [ABSTRACT FROM AUTHOR]

This work investigated the metalorganic vapor-phase epitaxy (MOVPE) of (100) β-Ga2O3 films with the aim of meeting the requirements to act as drift layers for high-power electronic devices. A height-adjustable showerhead achieving a close distance to the susceptor (1.5 cm) was demonstrated to be a critical factor in increasing the stability of the Ga wetting layer (or Ga adlayer) on the surface and reducing parasitic particles. A film thickness of up to 3 μm has been achieved while keeping the root mean square below 0.7 nm. Record carrier mobilities of 155 cm2 V−1 s−1 (2.2 μm) and 163 cm2 V−1 s−1 (3 μm) at room temperature were measured for (100) β-Ga2O3 films with carrier concentrations of 5.7 × 1016 and 7.1 × 1016 cm−3, respectively. Analysis of temperature-dependent Hall mobility and carrier concentration data revealed a low background compensating acceptor concentration of 4 × 1015 cm−3. [ABSTRACT FROM AUTHOR]

Beta gallium oxide (β-Ga2O3) is a promising ultra-wide bandgap semiconductor with attractive physical properties for next-generation high-power devices, radio frequency electronics, and solar-blind ultraviolet radiation detectors. Here, we present an overview and perspective on the development of MOVPE-grown (100) β-Ga2O3 thin films and its role in supplementing high-power electronics. We review the development path of the growth process on (100) β-Ga2O3 thin films with a discussion regarding the solved and remaining challenges. The structural defect formation mechanism, substrate treatment strategies, and different growth windows are analyzed to optimize the grown film to fulfill the requirements for device fabrication. Toward industrial applications, MOVPE-grown β-Ga2O3 thin films are evaluated in two aspects: thick layers with smooth surface roughness and the electrical properties in terms of high carrier mobility and low doping concentration. Based on the reviewed results, we propose strategies in substrate preparation treatments and supportive tools such as the machine learning approaches for future growth process optimization and envision the rising interest of the β-Ga2O3-related alloy, β-(AlxGa1−x)2O3. [ABSTRACT FROM AUTHOR]

Optical absorption and photoconductivity measurements of Co-doped β-Ga2O3 crystals reveal the photon energies of optically excited charge transfer between the Co related deep levels and the conduction or valence band. The corresponding photoionization cross sections are fitted by a phenomenological model considering electron–phonon coupling. The obtained fitting parameters: thermal ionization (zero-phonon transition) energy, Franck–Condon shift, and effective phonon energy are compared with corresponding values predicted by first principle calculations based on density functional theory. A (+/0) donor level ∼0.85 eV above the valence band maximum and a (0/−) acceptor level ∼2.1 eV below the conduction band minimum are consistently derived. Temperature-dependent electrical resistivity measurement at elevated temperatures (up to 1000 K) yields a thermal activation energy of 2.1 ± 0.1 eV, consistent with the position of the Co acceptor level. Furthermore, the results show that Co doping is promising for producing semi-insulating β-Ga2O3 crystals. [ABSTRACT FROM AUTHOR]

In situ etching using Ga flux in an ultra-high vacuum environment like molecular beam epitaxy is introduced as a method to make high aspect ratio three-dimensional (3D) structures in β -Ga2O3. Etching of β -Ga2O3 due to excess Ga adatoms on the epilayer surface had been viewed as non-ideal for epitaxial growth especially since it results in plateauing and lowering of the growth rate. In this study, we use this well-known reaction from epitaxial growth to intentionally etch β -Ga2O3. We demonstrate etch rate ranging from 2.9 to 30 nm/min with the highest reported etch rate being only limited by the highest Ga flux used. Patterned in situ etching is also demonstrated and used to study the effect of fin orientation on the sidewall profiles and dopant (Si) segregation on the etched surface. Using in situ Ga etching, we also demonstrate 150 nm wide fins and 200 nm wide nanopillars with high aspect ratio. This etching method could enable future development of highly scaled vertical and lateral 3D devices in β -Ga2O3. [ABSTRACT FROM AUTHOR]

A systematic study of the different [Fe, N, O] isomers provides further understanding of the physical qualities of this system. The investigation reports on the global minimum, their ground states and barriers for interconversions on different potential energy hypersurfaces. The study also offers an examination of the applicability of the methods used, including the density functional/Hartree-Fock hybrid method and the multireference-averaged quadratic coupled cluster technique.

Chromium dioxide OCrO+ shows two closely spaced doublet ground states. It slowly reacts with H2 to form CrO+ and H2O as products. C-H and C-C bond activation are involved in the activation of saturated and unsaturated hydrocarbons, which is more efficient. Potential energy surface of the (Cr,O2)+ system in catalytic oxidation and the activation of molecular oxygen by Cr+ suggests that both spin and symmetry restrictions hinder the reaction Cr+ (6S) + O2 (3(sigma)g-) ->/

Iron methoxide cation, Fe(OCH3)+ isomerizes to HFe(OCH2)+ through a beta-hydrogen transfer in the gas phase. The activation barrier between the two isomers is large. The inclusion of additional ligands significantly lowers the activation barrier for the beta-hydrogen transfer. The isomer production during ion generation is due to easy intermolecular isomerization. A study employs mass spectrometry to understand beta-hydrogen transfer in organometallic compounds.

Fourier transform ion cyclotron resonance mass spectrometric study of the gas-phase, ion-molecule reactivity of MnO+ with dihydrogen and small alkanes reveals that H-atom abstraction is predominant in the reaction of MnO+ with H2 and methane. Ab initio calculations help determine the energetics, structure and electronic ground states of MnO+ and MnOH+. Water and ethene are the products of the reaction between MnO+ and ethane. Reaction of MnO+ with alkanes larger than ethane produces MnOH(olefins)+ products.

Bonding in late-transition-metal oxides in high-spin ground states is of the biradicaloid pi-type. The reduced reactivity of this system, as given by density functional theory, is due to violation of spin-conservation rules. The transition from the ground state to the excited state occurs through an intermediate state.

Generation of anionic and cationic iron-dioxygen adducts (FeO2) in the gas phase involves chemical ionization of a mixture of Fe(CO)5 and O2. Neutralization reionization mass spectrometry helps generate neutral FeO2 molecules from the cation or anion. Mass spectrometric techniques help characterize all these adducts. (FeO2)+ exhibits isomerism and the isomers are side-on and end-on complexes. Ab initio calculation help analyze the interconversion and energetics of both isomers, and the side-on complex exhibits higher stability than the end-on complex.

The application of collisional activation mass spectrometry (MS) on the (Fe,C,H4,O)+ potential energy surface readily identified the presence of CH4.FeO+, CH3-Fe-OH+, CH3O(H)Fe+ and CH2=Fe-OH2+ isomers in the gas phase. The four isomers were prepared from different ion/molecule gas phase reactions. In addition, attempts to prepare the insertion products H3CO-Fe-H+ and H-Fe-CH2OH+ failed possibly due to the complex potential energy surfaces involved in their formation. Moreover, the results from the ab initio molecular orbital calculations of the four isomers using MP2/ECP-DZ level of theory correlated with the MS analysis.

The quasi-static anisotropic permittivity parameters of electrically insulating beta gallium oxide (β-Ga2O3) were determined by terahertz spectroscopy. Polarization-resolved frequency domain spectroscopy in the spectral range from 200 GHz to 1 THz was carried out on bulk crystals along different orientations. Principal directions for permittivity were determined along crystallographic axes c and b and reciprocal lattice direction a * . No significant frequency dispersion in the real part of dielectric permittivity was observed in the measured spectral range. Our results are in excellent agreement with recent radio frequency capacitance measurements as well as with extrapolations from recent infrared measurements of phonon mode and high-frequency contributions and close the knowledge gap for these parameters in the terahertz spectral range. Our results are important for applications of β-Ga2O3 in high-frequency electronic devices. [ABSTRACT FROM AUTHOR]

Introduction: Sleep, circadian rhythms, (mental) health, and development are assumed to be intertwined. However, differentiated and reliable parameters of sleep and circadian rhythms are particularly difficult to assess for Fragile X (FXS) individuals. As those parameters need to be observed in complex settings, the feasibility of measurements for people with FXS was to be proven. Findings from this pilot study can inform further research and help to estimate sample sizes for future studies on FXS patients. Methods and Sample: Nine individuals (male and female) with full mutation of the FMR1 gene were integrated in the study and underwent a complex measurement including actigraphy, sleep log, and 24-h saliva sampling in order to examine profiles of melatonin and cortisol, and a polysomnography. Results: Seven actigraphy profiles, eight sleep logs, eight saliva profiles and seven polysomnographic data sets were collected. Complete data were analyzed for six individuals [mean age 14.87 years (SD 4.12), mean BMI 25.90 (SD 4.44)] were collected. No drop outs due to the constraints of the assessment were registered. Discussion: All assessments and the setting in total were tolerated well by participants and caregivers. Procedures were adapted to individual needs of the participants. Conclusion: All its components and the setting in total are absolutely feasible in the specific population of FXS individuals. Losses during consenting and recruiting have to be planned as well as high amounts of interindividual variances have to be taken into account. [ABSTRACT FROM AUTHOR]

Truly bulk ZnGa2O4 single crystals were obtained directly from the melt. High melting point of 1900 ± 20 °C and highly incongruent evaporation of the Zn- and Ga-containing species impose restrictions on growth conditions. The obtained crystals are characterized by a stoichiometric or near-stoichiometric composition with a normal spinel structure at room temperature and by a narrow full width at half maximum of the rocking curve of the 400 peak of (100)-oriented samples of 23 arcsec. ZnGa2O4 is a single crystalline spinel phase with the Ga/Zn atomic ratio up to about 2.17. Melt-grown ZnGa2O4 single crystals are thermally stable up to 1100 and 700 °C when subjected to annealing for 10 h in oxidizing and reducing atmospheres, respectively. The obtained ZnGa2O4 single crystals were either electrical insulators or n-type semiconductors/degenerate semiconductors depending on growth conditions and starting material composition. The as-grown semiconducting crystals had the resistivity, free electron concentration, and maximum Hall mobility of 0.002–0.1 Ωcm, 3 × 1018–9 × 1019 cm−3, and 107 cm2 V−1 s−1, respectively. The semiconducting crystals could be switched into the electrically insulating state by annealing in the presence of oxygen at temperatures ≥700 °C for at least several hours. The optical absorption edge is steep and originates at 275 nm, followed by full transparency in the visible and near infrared spectral regions. The optical bandgap gathered from the absorption coefficient is direct with a value of about 4.6 eV, close to that of β-Ga2O3. Additionally, with a lattice constant of a = 8.3336 Å, ZnGa2O4 may serve as a good lattice-matched substrate for magnetic Fe-based spinel films. [ABSTRACT FROM AUTHOR]

A Sn-doped (100) \beta -Ga2O3 epitaxial layer was grown via metal–organic vapor phase epitaxy onto a single-crystal, Mg-doped semi-insulating (100) \beta -Ga2O3 substrate. Ga2O3-based metal–oxide–semiconductor field-effect transistors with a 2- \mu \textm gate length ( LG) , 3.4- \mu \textm source–drain spacing ( L\textrm {SD}) , and 0.6- \mu \textm gate–drain spacing ( L\textrm {GD}) were fabricated and characterized. Devices were observed to hold a gate-to-drain voltage of 230 V in the OFF-state. The gate-to-drain electric field corresponds to 3.8 MV/cm, which is the highest reported for any transistor and surpassing bulk GaN and SiC theoretical limits. Further performance projections are made based on layout, process, and material optimizations to be considered in future iterations. [ABSTRACT FROM PUBLISHER]

The compounds, ([SnSe]1.15)1(VSe2)nwith n= 1, 2, 3,and 4, were prepared using designed precursors in order to investigatethe influence of the thickness of the VSe2constituenton the charge density wave transition. The structure of each of thecompounds was determined using X-ray diffraction and scanning transmissionelectron microscopy. The charge density wave transition observed inthe resistivity of ([SnSe]1.15)1(VSe2)1was confirmed. The electrical properties of the n= 2 and 3 compounds are distinctly different. The magnitudeof the resistivity change at the transition temperature is dramaticallylowered and the temperature of the resistivity minimum systematicallyincreases from 118 K (n= 1) to 172 K (n= 3). For n= 1, this temperature correlates withthe onset of the charge density wave transition. The Hall-coefficientchanges sign when nis greater than 1, and the temperaturedependence of the Hall coefficient of the n= 2 and3 compounds is very similar to the bulk, slowly decreasing as thetemperature is decreased, while for the n= 1 compoundthe Hall coefficient increases dramatically starting at the onsetof the charge density wave. The transport properties suggest an abruptchange in electronic properties on increasing the thickness of theVSe2layer beyond a single layer. [ABSTRACT FROM AUTHOR]

Aim: An important differential diagnosis of seizures in childhood is the long QT syndrome. Childhood epilepsy occurs about 400 times more often than long QT syndrome. We had observed children with slight post-convulsive prolongation of QT time more often than the reported incidence of long QT syndrome. We therefore conducted a prospective study to define the characteristics of post-convulsive prolongation of QT time in children.Methods: We investigated 30 consecutive infants and children (3 mo to 14 y) within 2 h after seizures. A follow-up ECG was obtained 1-9 d later. We also obtained ECGs from 30 healthy age- and gender-matched controls. We calculated the QT interval corrected for heart rate (QTc) by Bazett's formula in leads II, V5, V6, QT dispersion and the number of notched T waves.Results: We found a QTc interval of more than 440 ms in one or more leads in the first ECG in seven of 30 infants and children compared to 1 of 30 in the follow-up ECG (p=0.0003) and two of 30 in the healthy controls (p=0.14). Average QTc was higher for all leads in the first ECG. This was statistically significant in leads II (414 vs 402 ms, p=0.008), V5 (416 vs 404 ms, p=0.002) and V6 (415 vs 399 ms, p=0.001). Compared to healthy controls, QT dispersion was slightly larger in the early post-convulsive ECG (36 vs 31 ms, p=0.03). Notched T waves occurred more frequently in the early compared to the late post-convulsive ECGs (p=0.009).Conclusion: Slight to moderate post-convulsive prolongation of the QT interval is not rare but transient in paediatric patients. [ABSTRACT FROM AUTHOR]

Discusses the structures and energetics of iron methoxide Fe(OCH3)+, its tautomer and their interconversion by beta-hydrogen transfer. Experimental and computational details; Ion structures; Cross sections; Heats of formation.

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In this work, we have investigated plasma-assisted deposition of Al2O3 on HVPE (001) β-Ga2O3 and evaluated the dielectric quality from electrical measurements on fabricated metal-oxide-semiconductor (MOS) capacitors. The interface structure and crystallinity of the films were investigated as a function of the growth temperature. The dielectric/semiconductor interfaces were found to have reverse breakdown electric fields up to 5.3 MV/cm in the β-Ga2O3, with relatively low hysteresis in capacitance–voltage and low leakage current. We determined a negative fixed interface charge density at the interface from analysis of thickness-dependent capacitance voltage data. This study shows the advantage of using plasma-assisted deposition to achieve high breakdown strength Al2O3/β-Ga2O3 MOS structures for device application purposes. [ABSTRACT FROM AUTHOR]