"7"^^ . "4"^^ . . "Linear and Nonlinear Optical Susceptibilities of Ag3PS4 and Ag5PS4Cl2 Compounds."@en . "The complex density functional theory (DFT) calculations of linear and nonlinear optical susceptibilities for the Ag3PS4 and Ag5PS4Cl2 compounds have been reported, using the full potential linearized augmented plane wave (FP-LAPW) method. We have employed the local density approximation (LDA), generalized gradient approximation (GGA-PBE). In additional the Engel- Vosko generalized gradient approximation (EVGGA) formalism, which optimizes the corresponding potential for the spectral features of the linear and nonlinear optical susceptibilities, was employed. We have calculated the frequency-dependent complex epsilon(omega), its zero-frequency limit epsilon1(omega), refractive index n(omega), the reflectivity R(omega) and electron energy loss function L(omega). Calculations are also reported for the frequency-dependent complex second-order nonlinear optical susceptibilities. We find opposite signs of the contributions of the 2(omega) and 1(omega) inter/intra-band to the imaginary part for the dominant component through the optical frequency range." . "P(ED2.1.00/03.0088)" . "2278-0181" . "Linear and Nonlinear Optical Susceptibilities of Ag3PS4 and Ag5PS4Cl2 Compounds." . "International Journal of Engineering Research & Technology" . . . . "26250" . . "Linear and Nonlinear Optical Susceptibilities of Ag3PS4 and Ag5PS4Cl2 Compounds." . "Al-Jaary, Ali H. Reshak" . "The complex density functional theory (DFT) calculations of linear and nonlinear optical susceptibilities for the Ag3PS4 and Ag5PS4Cl2 compounds have been reported, using the full potential linearized augmented plane wave (FP-LAPW) method. We have employed the local density approximation (LDA), generalized gradient approximation (GGA-PBE). In additional the Engel- Vosko generalized gradient approximation (EVGGA) formalism, which optimizes the corresponding potential for the spectral features of the linear and nonlinear optical susceptibilities, was employed. We have calculated the frequency-dependent complex epsilon(omega), its zero-frequency limit epsilon1(omega), refractive index n(omega), the reflectivity R(omega) and electron energy loss function L(omega). Calculations are also reported for the frequency-dependent complex second-order nonlinear optical susceptibilities. We find opposite signs of the contributions of the 2(omega) and 1(omega) inter/intra-band to the imaginary part for the dominant component through the optical frequency range."@en . "Azam, Sikander" . . . . "3" . "23640" . "Linear and Nonlinear Optical Susceptibilities of Ag3PS4 and Ag5PS4Cl2 Compounds."@en . . . "RIV/49777513:23640/14:43921997!RIV15-MSM-23640___" . . . "Khan, Saleem Ayaz" . "IN - Indick\u00E1 republika" . "2" . . "DFT; nonlinear optical susceptibilities; linear optical susceptibilities"@en . . . . "4"^^ . "RIV/49777513:23640/14:43921997" . . "Khan, Wilayat" . . "[6F84ACA0A6D8]" .