First-principles calculation of P-type alloy scattering in Si1-xGex

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PhysRevB_75_155201.pdf(268.78 KB)
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Date
2007-04
Authors
Joyce, S.
Murphy-Armando, Felipe
Fahy, Stephen B.
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American Physical Society
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Abstract
The p-type carrier scattering rate due to alloy disorder in Si1-xGex 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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Elemental semiconductors , Theory of electronic transport , Theory of electronic transport scattering mechanisms , Disordered solids
Citation
JOYCE, S., MURPHY-ARMANDO, F. & FAHY, S. 2007. 'First-principles calculation of P-type alloy scattering in Si1-xGex'. Physical Review B, 75, 155201. doi:10.1103/PhysRevB.75.155201
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©2007 The American Physical Society