期刊
PHYSICAL REVIEW B
卷 95, 期 24, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.95.245210
关键词
-
资金
- Innovation Fund Denmark [79-2013-1]
- European Commissions Seventh Framework Programme [619326]
- Danish Research Foundation [DNRF103]
We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green's function based transport calculations and molecular dynamics, we obtain a temperature dependent transmission from which we evaluate the mobility. We validate our approach by comparing to mobilities and conductivities obtained by the Boltzmann transport equation for different bulk and one-dimensional systems. For bulk silicon and gold we compare against experimental values. We discuss limitations and advantages of each of the computational approaches.
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