TITLE:
First-Principle Studies on the Ga and As Doping of Germanane Monolayer
AUTHORS:
Lei Liu, Yanju Ji, Yifan Liu, Liqiang Liu
KEYWORDS:
Germanane, Doping, Electronic Properties, Optical Properties, First-Principle
JOURNAL NAME:
Journal of Applied Mathematics and Physics,
Vol.7 No.1,
January
11,
2019
ABSTRACT: The study of energetics, structural,
the electronic and optical properties of Ga and As atoms substituted for doped
germanane monolayers were studied by first-principles calculations based on
density functional theory. Both of the two doping are thermodynamically stable.
According to the band structure and partial density of the states, gallium is
p-type doping. Impurity bands below the conduction band lead the absorption
spectrum moves in the infrared direction. Arsenic doping has impurity level
passing through the Fermi level and is n-type doping. The analysis of optical properties
confirms the value of bandgap and doping properties.