Structural complexity and wide application of two-dimensional S/O type antimonene
发布时间：2025-04-30
点击次数：
- 发布时间：
- 2025-04-30
- 论文名称：
- Structural complexity and wide application of two-dimensional S/O type antimonene
- 发表刊物：
- Applied Surface Science
- 摘要：
- Inspired by stable two-dimensional antimonene phases, two new allotropes (S/O and tricycle) antimonenes
have been predicted by first-principles calculations in this paper. S/O type antimonene possesses
remarkably thermodynamical and dynamical stability, which are comparable to that of buckled type
antimonene. The results indicate that S/O type antimonene is a direct band gap semiconductor with a
band gap of 2.314 eV and the electronic properties could be effectively tuned by the in-plane strain. In
order to explore the potential application, the mechanical properties and optical properties of S/O type
antimonene are also extensively studied. It is found the S/O type antimonene is an anisotropic material
by the method of analyzing the linear Poisson’s ratios and the phonon band structure. These systematical
analyses show that S/O type antimonene is a new 2D material with tunable electronic properties, excellent
mechanical and optical properties.
- 合写作者：
- T.T. Li , C. He*, W.X. Zhang
- 卷号：
- 441
- 页面范围：
- 77
- 是否译文：
- 否
- 发表时间：
- 2018-04-01