Abstract
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.
each of the computational approaches.
Original language | English |
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Article number | 245210 |
Journal | Physical Review B |
Volume | 95 |
Number of pages | 8 |
ISSN | 2469-9950 |
DOIs | |
Publication status | Published - 2017 |