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arXiv 1612.02007cond-mat.mes-hallhep-thmath-phmath.MP
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晶体绝缘体的能带结构拓扑分类

Topological classification of crystalline insulators through band structure combinatorics

Jorrit Kruthoff, Jan de Boer, Jasper van Wezel, Charles L. Kane, Robert-Jan Slager

摘要:

我们提出了一种方法,有效地枚举所有允许的,拓扑不同的,电子能带结构在一个给定的晶体结构。该算法适用于在任何维度上具有破缺时间反演、粒子空穴和手征对称性的晶体。所提出的结果匹配的数学结构的拓扑分类,这些晶体的K-理论,因此阐明了这个抽象的数学框架,从一个简单的组合的角度来看。使用一个简单的计数程序,我们分类在任何可能的二维晶体中的允许的拓扑相在类A。我们还展示了如何可以使用相同的程序来分类允许的相位为任何三维空间组。采用这些分类,我们研究了A类内的拓扑相位之间的转换,在第一布里渊区的高对称点的带反转驱动。这使我们能够列出给定晶体结构内所有可能的相变类型,并确定它们是否会产生中间Weyl半金属相。

英文摘要:

We present a method for efficiently enumerating all allowed, topologically distinct, electronic band structures within a given crystal structure. The algorithm applies to crystals with broken time-reversal, particle-hole, and chiral symmetries in any dimension. The presented results match the mathematical structure underlying the topological classification of these crystals in terms of K-theory, and therefore elucidate this abstract mathematical framework from a simple combinatorial perspective. Using a straightforward counting procedure, we classify the allowed topological phases in any possible two-dimensional crystal in class A. We also show how the same procedure can be used to classify the allowed phases for any three-dimensional space group. Employing these classifications, we study transitions between topological phases within class A that are driven by band inversions at high symmetry points in the first Brillouin zone. This enables us to list all possible types of phase transitions within a given crystal structure, and identify whether or not they give rise to intermediate Weyl semimetallic phases.

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