Temperature dependence of the electric-field gradient in hcp-Cd from first principles

被引：34
作者：
Torumba, D.
Parlinski, K.
Rots, M.
Cottenier, S.
机构：
[1] Katholieke Univ Leuven, Inst Kern & Stralingsfys, INPAC, B-3001 Heverlee, Belgium
[2] Pedag Univ, Inst Tech, PL-30084 Krakow, Poland
来源：
PHYSICAL REVIEW B | 2006年 / 74卷 / 14期
关键词：
D O I：
10.1103/PhysRevB.74.144304
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We determine the temperature dependence of the electric-field gradient in hcp-Cd from first principles. The calculations are based on the ab initio determination of the phonon density of states spectrum of the solid. Using only moderate accuracy requirements, the temperature dependence of the electric-field gradient in hcp-Cd is reasonably well reproduced. The origin of its peculiar T-3/2 dependence is discussed.
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页数：6
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