"000253188800034" . . . "Z(MSM6007665808)" . . "Optical properties of the alkaline-earth fluorohalides matlockite-type structure SrFX (X = Cl, Br, I) compounds"@en . "12640" . "NL - Nizozemsko" . . "1"^^ . . . "RIV/60076658:12640/08:00009360" . "385017" . "Reshak, Ali Hussain" . "Physica B - Condensed Matter" . "Optical properties of the alkaline-earth fluorohalides matlockite-type structure SrFX (X = Cl, Br, I) compounds" . . "Optick\u00E9 vlastnosti halogenid\u016F fluoru se slou\u010Deninami alkalick\u00FDch zemin typu ?matlockite? se strukturou SrFX (X = Cl, Br, I)"@cs . "RIV/60076658:12640/08:00009360!RIV09-MSM-12640___" . "FP-LAPW; SrFX; optical properties"@en . "Optical properties of the alkaline-earth fluorohalides matlockite-type structure SrFX (X = Cl, Br, I) compounds"@en . "403" . "The optical properties of the SrFX (X = Cl, Br, I) compound have been reported using the full potential linearized augmented plane wave (FP-LAPW) method as implemented in the WIEN2K code. We employed the generalized gradient approximation (GGA), which is based on exchange-correlation energy optimization to calculate the total energy. Also we have used the Engel-Vosko GGA formalism, which optimizes the corresponding potential for band structure calculations. Our calculations show that the valence band maximum (VBM) and conduction band minimum (CBM) are located at F resulting in a direct energy gap. We present calculations of the frequency-dependent complex dielectric function epsilon(omega) and its zero-frequency limit epsilon(1)(0). We find that the value of epsilon(1)(0) increases on decreasing the energy gap. The reflectivity spectra and absorption coefficient have been calculated and compared with the available experimental data." . . . "0921-4526" . "Baaziz, H." . "Charifi, Z." . . "Optick\u00E9 vlastnosti slou\u010Denin SrFX (X = Cl, Br, I) byly pops\u00E1ny pou\u017Eit\u00EDm ?full potential linearized augmented plane wave (FP-LAPW)? metody realizovanou k\u00F3dem WIEN2K. Vyu\u017Eili jsme zobecn\u011Bnou gradientovou aproximaci (GGA), kter\u00E1 je zalo\u017Eena na v\u00FDm\u011Bn\u011B funk\u010Dn\u00ED korelace energie omtimalizovan\u00E9 na v\u00FDpo\u010Det celkov\u00E9 energie. U\u017Eili jsme ?Engel-Vosko GGA? formule, kter\u00E1 optimalizuje odpov\u00EDdaj\u00EDc\u00ED potenci\u00E1l po\u010D\u00EDt\u00E1n\u00ED struktury. Na\u0161e v\u00FDpo\u010Dty ukazuj\u00ED, \u017Ee rozsah maxima valence (VBM) a rozsah minima vodivosti (CBM) je lokalizov\u00E1na v F, vypl\u00FDv\u00E1 to z p\u0159\u00EDm\u00E9 energetick\u00E9 mezery."@cs . . "Optical properties of the alkaline-earth fluorohalides matlockite-type structure SrFX (X = Cl, Br, I) compounds" . "The optical properties of the SrFX (X = Cl, Br, I) compound have been reported using the full potential linearized augmented plane wave (FP-LAPW) method as implemented in the WIEN2K code. We employed the generalized gradient approximation (GGA), which is based on exchange-correlation energy optimization to calculate the total energy. Also we have used the Engel-Vosko GGA formalism, which optimizes the corresponding potential for band structure calculations. Our calculations show that the valence band maximum (VBM) and conduction band minimum (CBM) are located at F resulting in a direct energy gap. We present calculations of the frequency-dependent complex dielectric function epsilon(omega) and its zero-frequency limit epsilon(1)(0). We find that the value of epsilon(1)(0) increases on decreasing the energy gap. The reflectivity spectra and absorption coefficient have been calculated and compared with the available experimental data."@en . . . "Optick\u00E9 vlastnosti halogenid\u016F fluoru se slou\u010Deninami alkalick\u00FDch zemin typu ?matlockite? se strukturou SrFX (X = Cl, Br, I)"@cs . . "6"^^ . "4" . "[BE984C0202D3]" . "Reshak, Ali Hussain" . "3"^^ .