Tight‐binding theory of force constant models
作者:
Mark van Schilfgaarde,
Arden Sher,
期刊:
Applied Physics Letters
(AIP Available online 1987)
卷期:
Volume 51,
issue 3
页码: 175-176
ISSN:0003-6951
年代: 1987
DOI:10.1063/1.98913
出版商: AIP
数据来源: AIP
摘要:
A theory of force constant models is derived for tetrahedral semiconductors from Harrison’s [Phys. Rev. B27, 3592 (1983)] tight‐binding theory. A relation between the three independent elastic constants is derived that is independent of the detailed form of the matrix elements. This relation provides an approximate, butabinitio, theory on which two‐parameter force constant models can be based. The universal matrix elements of Harrison are also found to describe remarkably well the magnitude of the elastic constants and their scaling from one material to another. Analytic forms forc11andc44are given in terms of the matrix elements.
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