期刊
RSC ADVANCES
卷 7, 期 63, 页码 39546-39555出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7ra05787c
关键词
-
资金
- National Natural Science Foundation of China [61366007, 11164032, 61066005]
- Program for New Century Excellent Talents in University [NCET-12-1080]
- Applied Basic Research Foundation of Yunnan Province [2011CI003, 2013FB007]
- Program of high-end scientific and technological talents in Yunnan Province [2013HA019]
- Program for Excellent Young Talents in Yunnan University
Based on first-principles density functional theory calculations, we systemically study the properties of two-dimensional buckled single-layer bismuth (b-bismuthene). The structure, stability, and electronic properties are mainly discussed by PBE + SOC method and the hybrid functional HSE06 method is used to further revise the band gap. The optimized b-bismuthene is determined to be dynamically and thermally stable with an indirect band gap. In particular, there is a peculiar Rashba spin-splitting emerging in the valence band maximum (VBM) states. Interestingly, the Rashba energy could be effectively modulated by in-layer biaxial strain. By applying in-layer biaxial strain, one can find that b-bismuthene has indirect-direct band gap and semiconductor-semimetal transitions. Moreover, we also study the electronic structure of bilayer b-bismuthene that is sensitively dependent on the interlayer distance. We demonstrate that the electric field (E-field) leads to a breaking of the Rashba-type splitting near the VBM of single b-bismuthene. More importantly, there is a synergistic effect when both strain and electric field are applied at the same time. The E-field induced band splitting character could be modified by the strain strength. Thus, this study indicates that b-bismuthene may be a potential material in both electronic and spintronic devices.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据