Anomaly in cia ratio of Zn under pressure

被引：46

作者：

Fast, L ^{[1
]}

Ahuja, R ^{[1
]}

Nordstrom, L ^{[1
]}

Wills, JM ^{[1
]}

Johansson, B ^{[1
]}

Eriksson, O ^{[1
]}

机构：

[1] LOS ALAMOS NATL LAB, DIV THEORET, LOS ALAMOS, NM 87545 USA

来源：

PHYSICAL REVIEW LETTERS | 1997年 / 79卷 / 12期

关键词：

D O I：

10.1103/PhysRevLett.79.2301

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Recently an anomaly in the cia ratio for hcp Zn was observed as a function of hydrostatic compression [Takemura Kenichi, Phys. Rev. Lett. 75, 1807 (1995)]. The anomaly is even more pronounced for the lattice parameter a in the hexagonal plane. By means of accurate first principles calculations we demonstrate that at a specific volume the distances between the atoms within the hexagonal planes of Zn actually increase when the volume is decreased. By an explicit separation of the various contributions from different volume segments of the Brillouin zone we conclude that the electronic states around the K point are those responsible for the observed anomaly.

引用

页码：2301 / 2303

页数：3

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