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Computing topological invariants without inversion symmetry
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DOI：10.1103/PhysRevB.83.235401.png)
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摘要
En 中文
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.
Keyword:
SPACE GAUSSIAN PSEUDOPOTENTIALS
HGTE QUANTUM-WELLS
SINGLE DIRAC CONE
WANNIER FUNCTIONS
ENERGY-BANDS
INSULATORS
PHASE
SURFACE
SOLIDS
BI2TE3
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期刊
IF:
3.7
论文数:
15.4W
被引数:
41.0W
机构
引用论文
Z2 classification of quantum spin Hall systems: An approach using time-reversal invariance.png)
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