Valence band effective-mass expressions in the sp3d5s* empirical tight-binding model applied to a Si and Ge parametrization -: art. no. 115201

被引:314
作者
Boykin, TB [1 ]
Klimeck, G
Oyafuso, F
机构
[1] Univ Alabama, Dept Elect & Comp Engn, Huntsville, AL 35899 USA
[2] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA
来源
PHYSICAL REVIEW B | 2004年 / 69卷 / 11期
关键词
D O I
10.1103/PhysRevB.69.115201
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Exact, analytic expressions for the valence band effective masses in the spin-orbit, sp(3)d(5)s(*) empirical tight-binding model are derived. These expressions together with an automated fitting algorithm are used to produce improved parameter sets for Si and Ge at room temperature. Detailed examinations of the analytic effective-mass expressions reveal critical capabilities and limitations of this model in reproducing simultaneously certain gaps and effective masses. The [110] masses are shown to be completely determined by the [100] and [111] masses despite the introduction of d orbitals into the basis.
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页数:10
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