First-principles modeling of high-field transport in diamond

被引：0

作者：

Shoemaker, J. ^{[1
]}

Vatan, R. ^{[2
]}

Biswas, T. ^{[1
]}

Singh, A. ^{[1
]}

Saraniti, M. ^{[2
]}

Goodnick, S. M. ^{[2
]}

机构：

[1] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA

[2] Arizona State Univ, Dept Elect Comp & Energy Engn, Tempe, AZ USA

来源：

JOURNAL OF MATERIALS RESEARCH | 2024年 / 39卷 / 22期

关键词：

Simulation; Diamond; Electron-phonon interactions; Semiconducting; Electronic structure; QUASI-PARTICLE; ELECTRON; SCATTERING;

D O I：

10.1557/s43578-024-01458-7

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Ultra-Wide Bandgap (UWBG) semiconductors, such as diamond, represent the next generation of power electronics technology. Impact ionization properties in such materials are mediated by electron-phonon interactions, which are not well understood in such materials. In this study, we present results for impact ionization coefficients and critical field predictions in diamond from full-band Monte Carlo simulations using ab initio inputs, including electronic band structure from BerkeleyGW, phonon dispersion from Density-Functional Perturbation Theory (DFPT) in Quantum Espresso, and electron-phonon interactions from EPW. The resulting impact ionization coefficients show good agreement with experimental data available for holes and predict critical fields greater than 2 MV/cm at doping levels above 1015 cm-3.

引用

页码：3057 / 3066

页数：10

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