“School of Nano-Sciences”
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| Paper IPM / Nano-Sciences / 15409 |
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Electron-phonon interaction in single-layer phosphorene is studied from first principles based on the density functional theory, using finite displacement method. Scattering rates and mobility are numerically evaluated for carriers in the conduction and valence bands.
A criterion for the selection of phonon wave-vector in scatterings is proposed. Scattering selection rules are studied, utilizing group theory for the structure with D72h space group symmetry. Approximate analytical formulas for scattering rates, adopting the anisotropy
intrinsic to phosphorene, are derived, and effective deformation potentials are evaluated by fitting the formulas to numerical scattering rates extracted from ab initio calculations.
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