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