ELASTIC PROPERTIES OF SEMICONDUCTORS STUDIED BY EXTENDED HUCKEL THEORY

被引：65

作者：

KITAMURA, M ^{[1
]}

MURAMATSU, S ^{[1
]}

HARRISON, WA ^{[1
]}

机构：

[1] STANFORD UNIV,DEPT APPL PHYS,STANFORD,CA 94305

来源：

PHYSICAL REVIEW B | 1992年 / 46卷 / 03期

关键词：

D O I：

10.1103/PhysRevB.46.1351

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

For thirty diamond- and zinc-blende-structure semiconductors, the elastic shear constant (C11 - C12 )/2, polarity alpha(p), effective atomic charge Z*, transfer parameter-beta, and transverse charge e(T)* are calculated from band-structure calculations based on the extended Huckel tight-binding method. The results are compared with previous theoretical calculations and experiment. It is found that improved agreement with experiment is obtained for (c11 - c12)/2 in comparison to a calculation based upon universal tight-binding parameters, which was already in rather good accord. For the effective charges, inclusion of nonorthogonalities in the Huckel theory increases their estimated values considerably and brings them into good agreement with experiment.

引用

页码：1351 / 1357

页数：7

共 26 条

[1] LATTICE-RELAXATION AROUND SUBSTITUTIONAL DEFECTS IN SEMICONDUCTORS [J].