QUASI-PARTICLE CALCULATION OF THE DIELECTRIC RESPONSE OF SILICON AND GERMANIUM

被引:206
作者
LEVINE, ZH [1 ]
ALLAN, DC [1 ]
机构
[1] CORNING INC,APPL PROC RES,CORNING,NY 14831
来源
PHYSICAL REVIEW B | 1991年 / 43卷 / 05期
关键词
D O I
10.1103/PhysRevB.43.4187
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We calculate the dielectric function epsilon-1(omega) of silicon and germanium for frequencies below the direct band gap at the experimental lattice constant as well as the pressure dependence of the static dielectric constant epsilon-1(P). Our theory is an extension of the local-density approximation (LDA). We include self-energy effects by adding an operator to the usual LDA Hamiltonian; i.e., H(k) = H(k)(LDA) + DELTA(k)P(ck). This form leads to a Ward-identity replacement p --> (epsilon-nk - H(k)(LDA))-1(epsilon-nk - H(k))p. Our theory is in agreement with experiment for epsilon-1(omega) at the level of a few percent. For epsilon-1(P), we are in agreement with experiments for silicon and some of the conflicting experiments for germanium. A prediction is made for the pressure dependence of the dielectric function of silicon beyond the linear regime.
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页码:4187 / 4207
页数:21
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