Optimized local modes for lattice-dynamical applications

被引：13

作者：

Iñiguez, J

García, A

Pérez-Mato, JM

机构：

[1] Univ Basque Country, Dept Fis Aplicada 2, E-48080 Bilbao, Spain

[2] Univ Basque Country, Dept Fis Mat Condensada, E-48080 Bilbao, Spain

来源：

PHYSICAL REVIEW B | 2000年 / 61卷 / 05期

关键词：

D O I：

10.1103/PhysRevB.61.3127

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present a scheme for the construction of highly localized vibrational modes (local modes or "lattice Wannier functions"). The approach is based on a heuristic criterion for localization and takes the symmetry constraints into account from the start. We compare the local modes thus obtained with those generated by other schemes and find that they also provide a better description of the relevant vibrational subspace.

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收藏

页码：3127 / 3130

页数：4

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