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

被引：12
作者：
Joyce, S. [1 ]
Murphy-Armando, F.
Fahy, S.
机构：
[1] Tyndall Natl Inst, Cork, Ireland
[2] Natl Univ Ireland Univ Coll Cork, Dept Phys, Cork, Ireland
来源：
PHYSICAL REVIEW B | 2007年 / 75卷 / 15期
关键词：
STRAINED SI; ELECTRON-MOBILITY; SIXGE1-X ALLOYS; HOLE MOBILITY; SEMICONDUCTORS; SUBSTRATE; DEVICES; MODEL;
D O I：
10.1103/PhysRevB.75.155201
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
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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页数：5
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