Effect of Pressure on Electronic Structures and Optical Properties of Rocksalt InN
- Received Date: 2009-12-06
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.
|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|