Standard

Computing topological invariants without inversion symmetry. / Soluyanov, Alexey A.; Vanderbilt, David.

в: Physical Review B - Condensed Matter and Materials Physics, Том 83, № 23, 235401, 02.06.2011.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Soluyanov, AA & Vanderbilt, D 2011, 'Computing topological invariants without inversion symmetry', Physical Review B - Condensed Matter and Materials Physics, Том. 83, № 23, 235401. https://doi.org/10.1103/PhysRevB.83.235401

APA

Soluyanov, A. A., & Vanderbilt, D. (2011). Computing topological invariants without inversion symmetry. Physical Review B - Condensed Matter and Materials Physics, 83(23), [235401]. https://doi.org/10.1103/PhysRevB.83.235401

Vancouver

Soluyanov AA, Vanderbilt D. Computing topological invariants without inversion symmetry. Physical Review B - Condensed Matter and Materials Physics. 2011 Июнь 2;83(23). 235401. https://doi.org/10.1103/PhysRevB.83.235401

Author

Soluyanov, Alexey A. ; Vanderbilt, David. / Computing topological invariants without inversion symmetry. в: Physical Review B - Condensed Matter and Materials Physics. 2011 ; Том 83, № 23.

BibTeX

@article{a387986c25ed482489988edac06e91c0,
title = "Computing topological invariants without inversion symmetry",
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.",
keywords = "SPACE GAUSSIAN PSEUDOPOTENTIALS, HGTE QUANTUM-WELLS, SINGLE DIRAC CONE, WANNIER FUNCTIONS, ENERGY-BANDS, INSULATORS, PHASE, SURFACE, SOLIDS, BI2TE3",
author = "Soluyanov, {Alexey A.} and David Vanderbilt",
year = "2011",
month = jun,
day = "2",
doi = "10.1103/PhysRevB.83.235401",
language = "Английский",
volume = "83",
journal = "Physical Review B-Condensed Matter",
issn = "1098-0121",
publisher = "American Physical Society",
number = "23",

}

RIS

TY - JOUR

T1 - Computing topological invariants without inversion symmetry

AU - Soluyanov, Alexey A.

AU - Vanderbilt, David

PY - 2011/6/2

Y1 - 2011/6/2

N2 - 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.

AB - 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.

KW - SPACE GAUSSIAN PSEUDOPOTENTIALS

KW - HGTE QUANTUM-WELLS

KW - SINGLE DIRAC CONE

KW - WANNIER FUNCTIONS

KW - ENERGY-BANDS

KW - INSULATORS

KW - PHASE

KW - SURFACE

KW - SOLIDS

KW - BI2TE3

U2 - 10.1103/PhysRevB.83.235401

DO - 10.1103/PhysRevB.83.235401

M3 - статья

VL - 83

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 23

M1 - 235401

ER -

ID: 9471323