Monte Carlo simulations of electron transport in 4H-SiC using the DFT-calculated density of states

Janusz Wozny, Andrii Kovalchuk, Zbigniew Lisik, Jacek Podgorski, Piotr Bugalski, Andrzej Kubiak, Łukasz Ruta
2021 Journal of Computational Electronics  
AbstractWe carry out Monte Carlo simulations of electron transport in 4H-silicon carbide (4H-SiC) based on the numerically calculated density of states (DOS) to obtain the electron mobility at low electric fields. From the results, it can be concluded that a correct calculation of the DOS requires a very dense wavevector k-mesh when low electron kinetic energies are considered. The crucial issue is the numerical efficiency of the DOS calculation. We investigate the scaling efficiency when different numbers of cores are used.
doi:10.1007/s10825-021-01658-y fatcat:qa2tvzcquvbfbawlwnnftfkrke