Ming-yao Xu, Ming Xu, Man-yi Duan, Qing-ping Hu. Effect of Pressure on Electronic Structures and Optical Properties of Rocksalt InN[J]. Chinese Journal of Chemical Physics , 2010, 23(3): 293-296. doi: 10.1088/1674-0068/23/03/293-296
Citation: Ming-yao Xu, Ming Xu, Man-yi Duan, Qing-ping Hu. Effect of Pressure on Electronic Structures and Optical Properties of Rocksalt InN[J]. Chinese Journal of Chemical Physics , 2010, 23(3): 293-296. doi: 10.1088/1674-0068/23/03/293-296

Effect of Pressure on Electronic Structures and Optical Properties of Rocksalt InN

doi: 10.1088/1674-0068/23/03/293-296
Funds:  This work was supported by the Foundation of Science and Technology Bureau of Sichuan Province (No.2006J13-052).
  • Received Date: 2009-12-06
  • 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.
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Effect of Pressure on Electronic Structures and Optical Properties of Rocksalt InN

doi: 10.1088/1674-0068/23/03/293-296
Funds:  This work was supported by the Foundation of Science and Technology Bureau of Sichuan Province (No.2006J13-052).

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.

Ming-yao Xu, Ming Xu, Man-yi Duan, Qing-ping Hu. Effect of Pressure on Electronic Structures and Optical Properties of Rocksalt InN[J]. Chinese Journal of Chemical Physics , 2010, 23(3): 293-296. doi: 10.1088/1674-0068/23/03/293-296
Citation: Ming-yao Xu, Ming Xu, Man-yi Duan, Qing-ping Hu. Effect of Pressure on Electronic Structures and Optical Properties of Rocksalt InN[J]. Chinese Journal of Chemical Physics , 2010, 23(3): 293-296. doi: 10.1088/1674-0068/23/03/293-296

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