pith. sign in

arxiv: 1102.5600 · v2 · pith:W3WBLDBKnew · submitted 2011-02-28 · ❄️ cond-mat.mtrl-sci · cond-mat.mes-hall

Computing topological invariants without inversion symmetry

classification ❄️ cond-mat.mtrl-sci cond-mat.mes-hall
keywords approachgaugeinvariantnoncentrosymmetricsymmetrytime-reversaltopologicalallows
0
0 comments X
read the original abstract

We consider the problem of calculating the weak and strong topological indices in noncentrosymmetric time-reversal (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 T symmetry of the system and allows for a definition of the Z_2 invariant in terms of time-reversal polarization. In 3D we apply the 2D approach to 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.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.