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Statements

Subject Item
n2:RIV%2F49777513%3A23640%2F14%3A43921997%21RIV15-MSM-23640___
rdf:type
skos:Concept n13:Vysledek
dcterms:description
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. 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.
dcterms:title
Linear and Nonlinear Optical Susceptibilities of Ag3PS4 and Ag5PS4Cl2 Compounds. Linear and Nonlinear Optical Susceptibilities of Ag3PS4 and Ag5PS4Cl2 Compounds.
skos:prefLabel
Linear and Nonlinear Optical Susceptibilities of Ag3PS4 and Ag5PS4Cl2 Compounds. Linear and Nonlinear Optical Susceptibilities of Ag3PS4 and Ag5PS4Cl2 Compounds.
skos:notation
RIV/49777513:23640/14:43921997!RIV15-MSM-23640___
n4:aktivita
n15:P
n4:aktivity
P(ED2.1.00/03.0088)
n4:cisloPeriodika
2
n4:dodaniDat
n5:2015
n4:domaciTvurceVysledku
n7:9162828 n7:5529190 n7:6549101 n7:5751586
n4:druhVysledku
n16:J
n4:duvernostUdaju
n9:S
n4:entitaPredkladatele
n14:predkladatel
n4:idSjednocenehoVysledku
26250
n4:idVysledku
RIV/49777513:23640/14:43921997
n4:jazykVysledku
n17:eng
n4:klicovaSlova
DFT; nonlinear optical susceptibilities; linear optical susceptibilities
n4:klicoveSlovo
n11:linear%20optical%20susceptibilities n11:nonlinear%20optical%20susceptibilities n11:DFT
n4:kodStatuVydavatele
IN - Indická republika
n4:kontrolniKodProRIV
[6F84ACA0A6D8]
n4:nazevZdroje
International Journal of Engineering Research & Technology
n4:obor
n18:BE
n4:pocetDomacichTvurcuVysledku
4
n4:pocetTvurcuVysledku
4
n4:projekt
n8:ED2.1.00%2F03.0088
n4:rokUplatneniVysledku
n5:2014
n4:svazekPeriodika
3
n4:tvurceVysledku
Al-Jaary, Ali H. Reshak Azam, Sikander Khan, Saleem Ayaz Khan, Wilayat
s:issn
2278-0181
s:numberOfPages
7
n12:organizacniJednotka
23640