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Recent developments in growing highly n-doped wide bandgap oxides like β-Ga2O3 and more recently ZnGa2O4 hint to important applications, such as transparent electrodes and ohmic contacts. Attempts to interpret the phonon contribution to the measured magnetoconductivity raise fundamental questions on the interplay
between the large number of phonon modes in these lattices, electron-phonon scattering, and
lattice disorder. Here, we present density functional theory (DFT) modeling of electron-phonon
scattering for a wide range of n-carrier concentrations and temperatures in β-Ga2O3 and
ZnGa2O4 . The calculated coupling strengths are corroborated with zone-unfolded phonon
spectra extrapolated from a series of simulation supercells of different sizes and with calculated
dielectric functions. The results provide a first-principles understanding of dominant low-field
mobility features suggested by phenomenological models used traditionally for semiconductors
with high lattice symmetry.
Marco D. Santia,David C. Look, andStefan C. Badescu
"Electron-phonon coupling and electron mobility in degenerately doped oxides from first-principles (Conference Presentation)", Proc. SPIE 11281, Oxide-based Materials and Devices XI, 1128104 (10 March 2020); https://doi.org/10.1117/12.2552953
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Marco D. Santia, David C. Look, Stefan C. Badescu, "Electron-phonon coupling and electron mobility in degenerately doped oxides from first-principles (Conference Presentation)," Proc. SPIE 11281, Oxide-based Materials and Devices XI, 1128104 (10 March 2020); https://doi.org/10.1117/12.2552953