Search

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.