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- Title
Shear deformation modulates the electronic and optical properties of Al-doped arsenene.
- Authors
Qian, Shaoran; Liu, GuiLi; Gao, Xuewen; Chen, Yuling; Zhang, Guoying
- Abstract
The influence of shear deformation on the electronic and optical properties of the Al-doped arsenene has been investigated using the first-nature principle based on density general function theory. Within this study, the 5.882% doping concentration in the Al-doped arsenene makes it reasonably stable and the doping of Al atoms causes the arsenene to exhibit quasi-metallic properties. The combined energy calculations show that the structural stability of the Al-doped arsenene is not significantly affected by shear deformation. With increased shear deformation, the band gap of intrinsic arsenene reduces, and the band gap of the Al-doped arsenene similarly does. Optical properties analysis indicates that shear deformation redshifts both the absorption and reflection peaks of the doped system.
- Subjects
SHEAR (Mechanics); OPTICAL properties; BAND gaps; STRUCTURAL stability; DOPING agents (Chemistry)
- Publication
Modern Physics Letters B, 2024, Vol 38, Issue 19, p1
- ISSN
0217-9849
- Publication type
Article
- DOI
10.1142/S0217984924500350