화학공학소재연구정보센터
Current Applied Physics, Vol.16, No.10, 1277-1283, 2016
Ab initio computations of the linear and nonlinear optical properties of stable compounds in Al-In-N system
The frequency dependent linear and second order nonlinear susceptibilities of AlxIn1-xN have been studied by means of density functional theory within the random phase approximation. Predicted stable Al-In-N phases from our previous study were investigated. Scissor shift from earlier work was supplemented so as to activate the self-energy effects in response function calculations. By considering the many-body effects, optical calculations of semiconductors are improved. Apart from analyzing the real and imaginary optical spectra, calculations of refractive index were also carried out. Both low energy limit of real part and refractive index are increasing monotonically with a decrease in Al composition. Analyses of intraband and interband contributions towards nonlinear chi(2)(333) (2 omega, omega, omega) are too discussed. Our calculations show that vertical bar chi(2)(333)(0)vertical bar values for the stable alloys range from 0.18 to 120.98 pm/V. (C) 2016 Elsevier B.V. All rights reserved.