Journal of Applied Mathematics and Physics

Volume 7, Issue 1 (January 2019)

ISSN Print: 2327-4352   ISSN Online: 2327-4379

Google-based Impact Factor: 0.63  Citations  

First-Principle Studies on the Ga and As Doping of Germanane Monolayer

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DOI: 10.4236/jamp.2019.71005    467 Downloads   801 Views  

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.

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Liu, L. , Ji, Y. , Liu, Y. and Liu, L. (2019) First-Principle Studies on the Ga and As Doping of Germanane Monolayer. Journal of Applied Mathematics and Physics, 7, 46-54. doi: 10.4236/jamp.2019.71005.

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