文章基本信息

标题：Controllable band structure and topological phase transition in two-dimensional hydrogenated arsenene
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作者：Ya-ping Wang ; Wei-xiao Ji ; Chang-wen Zhang 等
期刊名称：Scientific Reports
电子版ISSN：2045-2322
出版年度：2016
卷号：6
期号：1
DOI：10.1038/srep20342
语种：English
出版社：Springer Nature
摘要：Discovery of two-dimensional (2D) topological insulator such as group-V films initiates challenges in exploring exotic quantum states in low dimensions. Here, we perform first-principles calculations to study the geometric and electronic properties in 2D arsenene monolayer with hydrogenation (HAsH). We predict a new σ-type Dirac cone related to the px,y orbitals of As atoms in HAsH, dependent on in-plane tensile strain. Noticeably, the spin-orbit coupling (SOC) opens a quantum spin Hall (QSH) gap of 193 meV at the Dirac cone. A single pair of topologically protected helical edge states is established for the edges, and its QSH phase is confirmed with topological invariant Z2 = 1. We also propose a 2D quantum well (QW) encapsulating HAsH with the h-BN sheet on each side, which harbors a nontrivial QSH state with the Dirac cone lying within the band gap of cladding BN substrate. These findings provide a promising innovative platform for QSH device design and fabrication operating at room temperature.