First-principles calculation of phonon scattering of n-type carriers in SiGe alloys

ORAL

Abstract

We calculate the scattering matrix due to phonons in a Si$_{1- x}$Ge$_x$ random substitutional alloy using first principles density functional theory. The electron-phonon matrix elements are obtained from linear response theory in supercells containing up to 128 atoms. We calculate the n-type carrier mobility from the scattering rates of phonon and alloy scattering using the Boltzmann transport equation. Results are compared to experiments.

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Authors

  • Felipe Murphy Armando

  • Stephen Fahy

    Department of Physics, University College Cork, Ireland, Tyndall National Institute, University College Cork, Tyndall National Institute and Dept. of Physics University College Cork, Ireland, Department of Physics and Tyndall National Institute, University College, Cork, Ireland