PEIERLS DISTORTION IN HEXAGONAL YH(3)

被引：54

作者：

WANG, Y

CHOU, MY

机构：

[1] School of Physics, Georgia Institute of Technology, Atlanta

来源：

PHYSICAL REVIEW LETTERS | 1993年 / 71卷 / 08期

关键词：

D O I：

10.1103/PhysRevLett.71.1226

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A pseudopotential local-density calculation is performed for YH3 to study the unusual hydrogen displacements previously found in neutron diffraction. These displacements are identified as Peierls distortions associated with (hydrogen) lattice instability in this 3D system. The wave vector of these displacements is close to the vector connecting the electron and hole pockets in the undistorted system. With other electron and hole pockets at GAMMA that still overlap after distortion, the possibility of the existence of an excitonic insulator phase will be discussed.

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页码：1226 / 1229

页数：4

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