About: Birefringence, linear and nonlinear second-order optical susceptibilities of a noncentrosymmetric chalcopyrite compound HgGa2S4

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About: Birefringence, linear and nonlinear second-order optical susceptibilities of a noncentrosymmetric chalcopyrite compound HgGa2S4 Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We present the results of the ab initio theoretical study of the linear and nonlinear optical susceptibilities for the HgGa2S4 single crystals using the all electron full potential-linearized augmented plane wave (FPLAPW) method as implemented in the WIEN2K code. We employed generalized gradient approximation (GGA), which is based on exchange-correlation energy optimization to calculate the total energy. We have used the Engel-Vosko GGA formalism, which optimizes the corresponding potential for band structure and optical susceptibilities calculations. Our calculations show that the valence band maximum (VBM) and conduction band minimum (CBM) are located at Gamma 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). The optical properties are analyzed, and the origin of some of the spectral peaks is discussed in terms of the calculated electronic band structure. We present the results of the ab initio theoretical study of the linear and nonlinear optical susceptibilities for the HgGa2S4 single crystals using the all electron full potential-linearized augmented plane wave (FPLAPW) method as implemented in the WIEN2K code. We employed generalized gradient approximation (GGA), which is based on exchange-correlation energy optimization to calculate the total energy. We have used the Engel-Vosko GGA formalism, which optimizes the corresponding potential for band structure and optical susceptibilities calculations. Our calculations show that the valence band maximum (VBM) and conduction band minimum (CBM) are located at Gamma 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). The optical properties are analyzed, and the origin of some of the spectral peaks is discussed in terms of the calculated electronic band structure. (en)
Title	Birefringence, linear and nonlinear second-order optical susceptibilities of a noncentrosymmetric chalcopyrite compound HgGa2S4 Birefringence, linear and nonlinear second-order optical susceptibilities of a noncentrosymmetric chalcopyrite compound HgGa2S4 (en)
skos:prefLabel	Birefringence, linear and nonlinear second-order optical susceptibilities of a noncentrosymmetric chalcopyrite compound HgGa2S4 Birefringence, linear and nonlinear second-order optical susceptibilities of a noncentrosymmetric chalcopyrite compound HgGa2S4 (en)
skos:notation	RIV/67179843:_____/09:00342938!RIV11-AV0-67179843
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z60870520), Z(MSM6007665808)
http://linked.open...iv/cisloPeriodika	125
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	AL- JAARY, Ali Reshak
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Centrum výzkumu globální změny AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	305279
http://linked.open...ai/riv/idVysledku	RIV/67179843:_____/09:00342938
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	generalized gradient approximation (en)
http://linked.open.../riv/klicoveSlovo	generalized gradient approximation
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[AF35C345DFC1]
http://linked.open...i/riv/nazevZdroje	Current Opinion in Solid State & Materials Science
http://linked.open...in/vavai/riv/obor	BO
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	1
http://linked.open...iv/tvurceVysledku	Auluck, S. Kityk, I. V. Reshak, Ali H
http://linked.open...ain/vavai/riv/wos	000265047700003
http://linked.open...n/vavai/riv/zamer	Spatial and functional dynamics of biological, ecological and socio-economic systems interacting with global climatic change Fyzikální biologie -nové přístupy v biologickém výzkumu
issn	1359-0286
number of pages	5 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Birefringence, linear and nonlinear second-order optical susceptibilities of a noncentrosymmetric chalcopyrite compound HgGa2S4 Birefringence, linear and nonlinear second-order optical susceptibilities of a noncentrosymmetric chalcopyrite compound HgGa2S4 Birefringence, linear and nonlinear second-order optical susceptibilities of a noncentrosymmetric chalcopyrite compound HgGa2S4

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