反演(地质)
点反射
对称(几何)
理论物理学
拓扑(电路)
计算机科学
物理
凝聚态物理
几何学
数学
地质学
组合数学
古生物学
构造盆地
作者
Alexey A. Soluyanov,David Vanderbilt
出处
期刊:Physical Review B
[American Physical Society]
日期:2011-06-02
卷期号:83 (23)
被引量:557
标识
DOI:10.1103/physrevb.83.235401
摘要
We consider the problem of calculating the weak and strong topological indices in noncentrosymmetric time-reversal ($\mathcal{T}$) invariant insulators. In 2D we use a gauge corresponding to hybrid Wannier functions that are maximally localized in one dimension. Although this gauge is not smoothly defined on the two torus, it respects the $\mathcal{T}$ symmetry of the system and allows for a definition of the ${\mathbb{Z}}_{2}$ invariant in terms of time-reversal polarization. In 3D we apply the 2D approach to $\mathcal{T}$-invariant planes. We illustrate the method with first-principles calculations on GeTe and on HgTe under $[001]$ and $[111]$ strain. Our approach differs from ones used previously for noncentrosymmetric materials and should be easier to implement in ab initio code packages.
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