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Shear deformation modulates the electronic and optical properties of Al-doped arsenene.
- Source :
- Modern Physics Letters B; 7/10/2024, Vol. 38 Issue 19, p1-14, 14p
- Publication Year :
- 2024
-
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. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 02179849
- Volume :
- 38
- Issue :
- 19
- Database :
- Complementary Index
- Journal :
- Modern Physics Letters B
- Publication Type :
- Academic Journal
- Accession number :
- 176873280
- Full Text :
- https://doi.org/10.1142/S0217984924500350