First-principles predictions of Hall and drift mobilities in semiconductors

S Poncé, F Macheda, ER Margine, N Marzari… - Physical Review …, 2021 - APS
Carrier mobility is at the root of our understanding of electronic devices. We present a unified
methodology for the parameter-free calculations of phonon-limited drift and Hall carrier …

Giant enhancement of hole mobility for 4H-silicon carbide through suppressing interband electron–phonon scattering

J Sun, S Li, Z Tong, C Shao, M An, X Zhu, C Zhang… - Nano Letters, 2024 - ACS Publications
4H-silicon carbide (4H-SiC) possesses a high Baliga figure of merit, making it a promising
material for power electronics. However, its applications are limited by low hole mobility …

Anisotropic Electron Mobility and Contact Resistance of β-Ga2O3 Obtained via Radio Frequency Transmission Line Methods on Schottky Devices

HJ Kim, S Hong, C Jang, HJ Jin, H Woo, H Bae, S Im - ACS nano, 2024 - ACS Publications
Monoclinic semiconducting β-Ga2O3 has drawn attention, particularly because its thin film
could be achieved via mechanical exfoliation from bulk crystals, which is analogous to van …

Electron mobility in ordered β-(AlxGa1− x) 2O3 alloys from first-principles

X Duan, T Wang, Z Fu, JY Yang, L Liu - Applied Physics Letters, 2022 - pubs.aip.org
Alloying Ga 2 O 3 with Al 2 O 3 yields diverse structural phases with distinctive
optoelectronic properties, making them promising candidates for ultrawide bandgap …

First principles study of thermoelectric properties of β-gallium oxide

A Kumar, U Singisetti - Applied Physics Letters, 2020 - pubs.aip.org
The thermoelectric effects in bulk β-gallium oxide crystals are investigated in this work using
the ab initio calculated electron-phonon interactions and semi-classical Boltzmann transport …

First-principles study of the drift and Hall mobilities of perovskite

J Ma, W Li, X Luo - Physical Review B, 2022 - APS
Barium stannate (BaSnO 3) is an emerging perovskite oxide with promising properties for
many potential applications. One of the most outstanding properties is the high-room …

First-principles study on the structural and electronic properties of β-(AlxGa1-x) 2O3 alloy

CZ Zhao, KY Zheng - Journal of Physics and Chemistry of Solids, 2024 - Elsevier
The generalized gradient approximation plus U parameter method is adopted to study the
structural and electronic properties of β-(Al x Ga 1-x) 2 O 3. The results show that the bond …

β-Ga 2 O 3: a potential high-temperature thermoelectric material

S Ning, S Huang, Z Zhang, B Zhao, R Zhang… - Physical Chemistry …, 2022 - pubs.rsc.org
The thermoelectric properties of intrinsic n-type β-Ga2O3 are evaluated by first-principles
calculations combined with Boltzmann transport theory and relaxation time approximation …

The temperature-dependence of carrier mobility is not a reliable indicator of the dominant scattering mechanism

AM Ganose, J Park, A Jain - arXiv preprint arXiv:2210.01746, 2022 - arxiv.org
The temperature dependence of experimental charge carrier mobility is commonly used as a
predictor of the dominant carrier scattering mechanism in semiconductors, particularly in …

Nontrivial role of polar optical phonons in limiting electron mobility of two-dimensional Ga 2 O 3 from first-principles

X Duan, T Wang, Z Fu, L Liu, JY Yang - Physical Chemistry Chemical …, 2023 - pubs.rsc.org
The exfoliated two-dimensional (2D) Ga2O3 opens new avenues to fine-tune the carrier and
thermal transport properties for improving the electro-thermal performance of gallium oxide …