| Autor: |
Qian, Shaoran, Liu, GuiLi, Gao, Xuewen, Chen, Yuling, Zhang, Guoying |
| Předmět: |
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| Zdroj: |
Modern Physics Letters B; 7/10/2024, Vol. 38 Issue 19, p1-14, 14p |
| Abstrakt: |
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. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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