论文标题

量子旋转厅绝缘子中的互补筛选,可剥落的材料

A complementary screening for quantum spin Hall insulators in 2D exfoliable materials

论文作者

Grassano, Davide, Campi, Davide, Marrazzo, Antimo, Marzari, Nicola

论文摘要

量子自旋大厅绝缘子是一类拓扑材料,在过去的十年中已经进行了广泛的研究。他们独特的特征之一是在散装型锁定的散装式边缘状态下存在有限的带隙,并存在无处不在的,拓扑保护的边缘状态。这些材料的特征在于$ \ mathbb {z} _2 $拓扑顺序,在2D情况下,对于琐碎或拓扑材料而言,单个拓扑不变性可能是偶数或奇怪的。由于它们有趣的属性,例如实现无耗散自旋电流,自旋泵送和自旋滤波,它们对电子,自旋形成和量子计算的领域引起了极大的兴趣。在这项工作中,我们从一组783 2D剥落的材料开始对量子自旋霍尔绝缘子进行高通量筛选,该材料最近从ICSD,COD和MPDS数据库的系统筛选中鉴定出来。我们发现了一个新的$ \ mathbb {z} _2 $拓扑绝缘子(HGNS)以及3个已知的差异和7种耐心的间隙金属,它们具有在相当弱的外部扰动下成为量子旋转霍尔绝缘子的潜力。

Quantum spin Hall insulators are a class of topological materials that has been extensively studied during the past decade. One of their distinctive features is the presence of a finite band gap in the bulk and gapless, topologically protected edge states that are spin-momentum locked. These materials are characterized by a $\mathbb{Z}_2$ topological order where, in the 2D case, a single topological invariant can be even or odd for a trivial or a topological material, respectively. Thanks to their interesting properties, such as the realization of dissipationless spin currents, spin pumping and spin filtering, they are of great interest in the field of electronics, spintronics and quantum computing. In this work we perform an high-throughput screening of Quantum spin Hall insulators starting from a set of 783 2D exfoliable materials, recently identified from a systematic screening of the ICSD, COD, and MPDS databases. We find a new $\mathbb{Z}_2$ topological insulator (HgNS) as well as 3 already known ones and 7 direect gap metals that have the potential of becoming Quantum spin Hall insulators under a reasonably weak external perturbation.

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