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arXiv 1702.06497cond-mat.mes-hallcond-mat.mtrl-scimath-phmath.MP
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基本晶格和电子结构中的能带弯曲、能带非抛物性和Dirac点

Band warping, band non-parabolicity and Dirac points in fundamental lattice and electronic structures

Lorenzo Resca, Nicholas A. Mecholsky, Ian L. Pegg

摘要:

我们从一个基本的角度展示了电子和振动结构中能带弯曲和能带非抛物性的物理和数学起源。值得注意的是,我们发现一个强大的存在和连接对拓扑诱导狄拉克点在连续矩形晶格使用$p$型紧束缚近似。我们提供了一个透明的分析二维连续矩形和正方形布拉维晶格的基本含义推广到更复杂的结构。能带弯曲通常出现在一个奇异的过渡到一个具有更大对称群的晶格的开始,突然允许在倒易空间中的特殊对称点处的高维不可约表示的可能性。能带非抛物性是完全不同的高阶特征,尽管它们可能在更大的对称群开始时合并成能带弯曲。尽管仍然与合并保持着清晰的联系,但带非抛物线性可能会在相对低对称性的点上产生成对的圆锥形交叉点。显然,这样的圆锥相交是由全局拓扑要求鲁棒地维护的,而不是任何局部对称保护。对于两个$p$型紧束缚带,我们发现这样的对圆锥交叉漂移沿边缘的限制布里渊区的连续矩形布拉维晶格的晶格常数相对变化,直到他们合并成简并翘曲带在高对称点的开始一个正方形晶格。我们发现的锥形交叉点似乎与在石墨烯和其他拓扑绝缘体中广泛研究的狄拉克点具有相似的拓扑特征,尽管我们的锥形交叉点没有后者更复杂结构所提供的对称复杂性和保护。

英文摘要:

We demonstrate from a fundamental perspective the physical and mathematical origins of band warping and band non-parabolicity in electronic and vibrational structures. Remarkably, we find a robust presence and connection with pairs of topologically induced Dirac points in a primitive-rectangular lattice using a $p$-type tight-binding approximation. We provide a transparent analysis of two-dimensional primitive-rectangular and square Bravais lattices whose basic implications generalize to more complex structures. Band warping typically arises at the onset of a singular transition to a crystal lattice with a larger symmetry group, suddenly allowing the possibility of irreducible representations of higher dimensions at special symmetry points in reciprocal space. Band non-parabolicities are altogether different higher-order features, although they may merge into band warping at the onset of a larger symmetry group. Quite separately, although still maintaining a clear connection with that merging, band non-parabolicities may produce pairs of conical intersections at relatively low-symmetry points. Apparently, such conical intersections are robustly maintained by global topology requirements, rather than any local symmetry protection. For two $p$-type tight-binding bands, we find such pairs of conical intersections drifting along the edges of restricted Brillouin zones of primitive-rectangular Bravais lattices as lattice constants vary relatively, until they merge into degenerate warped bands at high-symmetry points at the onset of a square lattice. The conical intersections that we found appear to have similar topological characteristics as Dirac points extensively studied in graphene and other topological insulators, although our conical intersections have none of the symmetry complexity and protection afforded by the latter more complex structures.

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