First-principles calculation of p-type alloy scattering in Si1xGex

S. Joyce, F. Murphy-Armando, and S. Fahy
Phys. Rev. B 75, 155201 – Published 5 April 2007

Abstract

The p-type carrier scattering rate due to alloy disorder in Si1xGex alloys is obtained from first principles. The required alloy scattering matrix elements are calculated from the energy splitting of the valence bands, which arise when one average host atom is replaced by a Ge or Si atom in supercells containing up to 128 atoms. Alloy scattering within the valence bands is found to be characterized by a single scattering parameter. The hole mobility is calculated from the scattering rate using the Boltzmann transport equation in the relaxation time approximation. The results are in good agreement with experiments on bulk, unstrained alloys.

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  • Received 26 July 2006

DOI:https://doi.org/10.1103/PhysRevB.75.155201

©2007 American Physical Society

Authors & Affiliations

S. Joyce1, F. Murphy-Armando1, and S. Fahy2

  • 1Tyndall National Institute, Lee Maltings, Prospect Row, Cork, Ireland
  • 2Tyndall National Institute and Department of Physics, University College, Cork, Ireland

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Issue

Vol. 75, Iss. 15 — 15 April 2007

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