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Effect of Pressure on Electronic Structures and Optical Properties of Rocksalt InN |
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| Authors: | Ming-yao Xu Ming Xu Man-yi Duan Qing-ping Hu |
| Affiliation: | School of Science, Wuhan Textile University, Wuhan 430073, China;Key Lab of Information Materials of Sichuan Province, South-west University for Nationalities,Chengdu 610041, China;Lab for Low-dimensional Structure Physics, Institute of Solid State Physics and School of Physics and Electronic Engineering, Sichuan Norma;School of Science, Wuhan Textile University, Wuhan 430073, China;Lab for Low-dimensional Structure Physics, Institute of Solid State Physics and School of Physics and Electronic Engineering, Sichuan Normal University, Chengdu 610068, China;School of Science, Wuhan Textile University, Wuhan 430073, China |
| Abstract: | The electronic structures and optical properties of rocksalt indium nitride (InN) under pres-sure were studied using the first-principles calculation by considering the exchange and cor-relation potentials with the generalized gradient approximation. The calculated lattice con-stant shows good agreement with the experimental value. It is interestingly found that the band gap energy Eg at the Γ or X point remarkably increases with increasing pressure, but Eg at the L point does not increase obviously. The pressure coefficient of Eg is calculated to be 44 meV/GPa at the Γ point. Moreover, the optical properties of rocksalt InN were calculated and discussed based on the calculated band structures and electronic density of states. |
| Keywords: | Density functional theory Electronic structure Optical property Rocksalt InN |
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