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Linear and nonlinear optical response of MgxZn1−xO: A density functional study |
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| Authors: | G. MurtazaIftikhar Ahmad B. AminA. Afaq F. GhafoorA. Benamrani |
| Affiliation: | a Department of Physics and Astronomy, Hazara University, Mansehra, Pakistan b Center for Solid State Physics, University of the Punjab, Lahore, Pakistan c Center for Quantum Physics, COMSATS Institute of Information Technology, Islamabad, Pakistan d Optoelectronics and Compounds Laboratory, Physics Department, Ferhat Abbes University, Serif 19000, Algeria |
| Abstract: | Total and partial density of states, frequency dependent complex refractive index including extinction coefficient, optical conductivity and transmission of MgxZn1−xO (0≤x≤1) in rocksalt and wurtzite phases are calculated using full potential linearized augmented plane wave (FP-LAPW) method. The real part of refractive index decreases while the extinction coefficient, optical conductivity and transmission for rocksalt phase increases with the increase in Mg concentration. In wurtzite phase, ordinary and extraordinary indices decrease while extinction coefficient, optical conductivity and transmission increase in parallel as well as perpendicular to c-axis with the increase in the Mg concentration. |
| Keywords: | Optical properties Nonlinear optical properties DFT ZnO:Mg |
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