Ab initio EPI and BTE study reports ZPR of 29-51 meV, 300 K mobilities of 100-573 cm2/Vs under different RTAs, and zT drop to ~0.08 when EPI included for Mg2Si and Ca2Si.
Li, Electrical transport limited by electron- phonon coupling from Boltzmann transport equa- tion: An ab initio study of Si, Al, and MoS 2, Phys
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Band gap renormalization, carrier mobility, and transport in Mg$_{2}$Si and Ca$_{2}$Si: \textit{Ab initio} scattering and Boltzmann transport equation study
Ab initio EPI and BTE study reports ZPR of 29-51 meV, 300 K mobilities of 100-573 cm2/Vs under different RTAs, and zT drop to ~0.08 when EPI included for Mg2Si and Ca2Si.