title: Two-dimensional tricycle arsenene with a direct band gap.
abstract: Based on a comprehensive investigation including ab initio phonon and finite-temperature molecular dynamics calculations, we find that two-dimensional tricycle-shaped arsenene (T-As) is robust and even stable under high temperature. T-As is energetically comparable to previously reported chair-shaped arsenene (C-As) and more stable than stirrup-shaped arsenene (S-As). In contrast to C-As and S-As, the monolayer T-As is a direct band gap semiconductor with an energy gap of 1.377 eV. Our results indicate that the electronic structure of T-As can be effectively modulated by stacking, strain, and patterning, which shows great potential of T-As in future nano-electronics. Moreover, by absorbing H or F atoms on the surface of T-As along a specific direction, nanoribbons with desired edge type and even width can be obtained, which is suitable for the fabrication of nano-devices.
authors.affiliation: School of Physics and Optoelectronics, Xiangtan University, Xiangtan 411105, China. kwzhang@xtu.edu.cn.
authors.forename: ShuangYing
authors.initials: S
authors.lastname: Ma
authors.affiliation: Hunan Provincial Key Laboratory of Thin Film Materials and Devices, School of Material Sciences and Engineering, Xiangtan University, Xiangtan 411105, China. lzsun@xtu.edu.cn.
authors.forename: Pan
authors.initials: P
authors.lastname: Zhou
authors.affiliation: Hunan Provincial Key Laboratory of Thin Film Materials and Devices, School of Material Sciences and Engineering, Xiangtan University, Xiangtan 411105, China. lzsun@xtu.edu.cn.
authors.forename: L Z
authors.initials: LZ
authors.lastname: Sun
authors.affiliation: School of Physics and Optoelectronics, Xiangtan University, Xiangtan 411105, China. kwzhang@xtu.edu.cn.
authors.forename: K W
authors.initials: KW
authors.lastname: Zhang