About: Optical properties of alkaline-earth fluorohalides BaFX (X = Cl, Br, I) compounds

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About: Optical properties of alkaline-earth fluorohalides BaFX (X = Cl, Br, I) compounds Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Měřili jsme optické vlastnosti směsí halogenfloridů alkalických zemin BaFX (X = Cl, Br, I). (cs) The ab initio calculations of the optical properties for the alkaline-earth fluorohalides BaFX (X = Cl, Br, I) compounds in its matlockite-type structure have been reported here by using the full potential linearized augmented plane wave (FP-LAPW) 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. Also we have used the Engel-Vosko GGA formalism, which optimizes the corresponding potential for band structure calculations. Our calculations show that these compounds have a direct energy band gap (Gamma-Gamma). We have calculated the frequency-dependent complex dielectric function epsilon(omega) and its zero-frequency limit epsilon(1)(0). We find that the values of epsilon(1)(0) increases with decreasing the energy gap. The reflectivity spectra and absorption coefficient have been calculated and compared with the available experimental data. The ab initio calculations of the optical properties for the alkaline-earth fluorohalides BaFX (X = Cl, Br, I) compounds in its matlockite-type structure have been reported here by using the full potential linearized augmented plane wave (FP-LAPW) 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. Also we have used the Engel-Vosko GGA formalism, which optimizes the corresponding potential for band structure calculations. Our calculations show that these compounds have a direct energy band gap (Gamma-Gamma). We have calculated the frequency-dependent complex dielectric function epsilon(omega) and its zero-frequency limit epsilon(1)(0). We find that the values of epsilon(1)(0) increases with decreasing the energy gap. The reflectivity spectra and absorption coefficient have been calculated and compared with the available experimental data. (en)
Title	Optical properties of alkaline-earth fluorohalides BaFX (X = Cl, Br, I) compounds Optical properties of alkaline-earth fluorohalides BaFX (X = Cl, Br, I) compounds (en) Optické vlastnosti směsí halogenfloridů alkalických zemin BaFX (X = Cl, Br, I) (cs)
skos:prefLabel	Optical properties of alkaline-earth fluorohalides BaFX (X = Cl, Br, I) compounds Optical properties of alkaline-earth fluorohalides BaFX (X = Cl, Br, I) compounds (en) Optické vlastnosti směsí halogenfloridů alkalických zemin BaFX (X = Cl, Br, I) (cs)
skos:notation	RIV/67179843:_____/07:00098085!RIV08-AV0-67179843
http://linked.open.../vavai/riv/strany	1133;1138
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z60870520), Z(MSM6007665808)
http://linked.open...iv/cisloPeriodika	8
http://linked.open...vai/riv/dodaniDat	2008
http://linked.open...aciTvurceVysledku	Reshak AH, Al Jaary
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	439698
http://linked.open...ai/riv/idVysledku	RIV/67179843:_____/07:00098085
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	CRYSTAL; LUMINESCENCE (en)
http://linked.open.../riv/klicoveSlovo	LUMINESCENCE CRYSTAL
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[F12CB837C678]
http://linked.open...i/riv/nazevZdroje	Solid-State Electronics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	1 (xsd:int)
http://linked.open...UplatneniVysledku	2007
http://linked.open...v/svazekPeriodika	51
http://linked.open...iv/tvurceVysledku	Reshak AH, Al Jaary
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	0038-1101
number of pages	6 (xsd:int)

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