title: Controllable band structure and topological phase transition in two-dimensional hydrogenated arsenene.
abstract: 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.
authors.affiliation: School of Physics and Technology, University of Jinan, Jinan, Shandong, 250022, People's Republic of China.
authors.forename: Ya-ping
authors.initials: YP
authors.lastname: Wang
authors.affiliation: School of Physics and Technology, University of Jinan, Jinan, Shandong, 250022, People's Republic of China.
authors.forename: Wei-xiao
authors.initials: WX
authors.lastname: Ji
authors.affiliation: School of Physics and Technology, University of Jinan, Jinan, Shandong, 250022, People's Republic of China.
authors.forename: Chang-wen
authors.initials: CW
authors.lastname: Zhang
authors.affiliation: School of Physics and Technology, University of Jinan, Jinan, Shandong, 250022, People's Republic of China.
authors.forename: Ping
authors.initials: P
authors.lastname: Li
authors.affiliation: School of Physics and Technology, University of Jinan, Jinan, Shandong, 250022, People's Republic of China.
authors.forename: Feng
authors.initials: F
authors.lastname: Li
authors.affiliation: School of Physics and Technology, University of Jinan, Jinan, Shandong, 250022, People's Republic of China.
authors.forename: Miao-juan
authors.initials: MJ
authors.lastname: Ren
authors.affiliation: School of Physics and Technology, University of Jinan, Jinan, Shandong, 250022, People's Republic of China.
authors.forename: Xin-Lian
authors.initials: XL
authors.lastname: Chen
authors.affiliation: School of Physics and Technology, University of Jinan, Jinan, Shandong, 250022, People's Republic of China.
authors.forename: Min
authors.initials: M
authors.lastname: Yuan
authors.affiliation: School of Physics and Technology, University of Jinan, Jinan, Shandong, 250022, People's Republic of China.
authors.forename: Pei-ji
authors.initials: PJ
authors.lastname: Wang
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