Photoelasticity of α-quartz from first principles -: art. no. 115118

被引：21

作者：

Detraux, F ^{[1
]}

Gonze, X ^{[1
]}

机构：

[1] Catholic Univ Louvain, Unite Physicochim & Phys Mat, B-1348 Louvain, Belgium

来源：

PHYSICAL REVIEW B | 2001年 / 63卷 / 11期

关键词：

D O I：

10.1103/PhysRevB.63.115118

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Using density-functional perturbation theory with a scissor correction, we compute the entire photoelastic tensor of alpha -quartz. Its components, whose absolute values range between 0.047 and 0.29 are all described within 0.04. We also compute the Born effective charge tensor and present its variation with respect to strain, as well as the relative deformation potentials and the structural rearrangement caused by strain. Then, we discuss briefly the mechanisms involved in the photoelasticity of quartz.

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页数：6

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