About: Crystallochemical affinity and optical functions of ZrGa2 and ZrGa3 compounds

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The influence of crystallochemical affinity for crystals ZrGa2 and ZrGa3 on the optical properties was studied. We have calculated dispersion of optical constants epsilon(average)(2)(omega). We have established that application of different exchange correlation potentials XC has no significant effect on the optical constant dispersion. Moreover, use of LDA, GGA and EVGGA has an insignificant effect on the corresponding optical features. The crystallochemical transformation between the two titled compounds leads to a spectral shift of the whole epsilon(average)(2)(omega) structure: for ZrGa3 it leads to higher energy shift with respect to ZrGa2. Moreover, one can see that the first spectral peak of epsilon(average)(2)(omega) for ZrGa2 which situated at around 0.5 eV becomes very small for ZrGa3 but still situated in the same location. The first right hand side hump in epsilon(average)(2)(omega) - ZrGa2 which is located at around 1.5 eV becomes pronounced and situated at around 2.2 eV in epsilon(average)(2)(omega) - ZrGa3. For more complete information we have calculated dispersions of the electronic loss function, reflectivity and the optical conductivity. The influence of crystallochemical affinity for crystals ZrGa2 and ZrGa3 on the optical properties was studied. We have calculated dispersion of optical constants epsilon(average)(2)(omega). We have established that application of different exchange correlation potentials XC has no significant effect on the optical constant dispersion. Moreover, use of LDA, GGA and EVGGA has an insignificant effect on the corresponding optical features. The crystallochemical transformation between the two titled compounds leads to a spectral shift of the whole epsilon(average)(2)(omega) structure: for ZrGa3 it leads to higher energy shift with respect to ZrGa2. Moreover, one can see that the first spectral peak of epsilon(average)(2)(omega) for ZrGa2 which situated at around 0.5 eV becomes very small for ZrGa3 but still situated in the same location. The first right hand side hump in epsilon(average)(2)(omega) - ZrGa2 which is located at around 1.5 eV becomes pronounced and situated at around 2.2 eV in epsilon(average)(2)(omega) - ZrGa3. For more complete information we have calculated dispersions of the electronic loss function, reflectivity and the optical conductivity. (en)
Title	Crystallochemical affinity and optical functions of ZrGa2 and ZrGa3 compounds Crystallochemical affinity and optical functions of ZrGa2 and ZrGa3 compounds (en)
skos:prefLabel	Crystallochemical affinity and optical functions of ZrGa2 and ZrGa3 compounds Crystallochemical affinity and optical functions of ZrGa2 and ZrGa3 compounds (en)
skos:notation	RIV/60076658:12520/13:43884024!RIV14-MSM-12520___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(ED2.1.00/01.0024)
http://linked.open...iv/cisloPeriodika	02
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Reshak, Ali Hussain
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	Jihočeská univerzita v Českých Budějovicích / Fakulta rybářství a ochrany vod
http://linked.open...dnocenehoVysledku	67407
http://linked.open...ai/riv/idVysledku	RIV/60076658:12520/13:43884024
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Electronic band structure; Electronic charge density; DFT calculations; ZrGa2 compounds; ZrGa2; ENERGY (en)
http://linked.open.../riv/klicoveSlovo	Electronic charge density ZrGa2 ZrGa2 compounds DFT calculations ENERGY Electronic band structure
http://linked.open...odStatuVydavatele	CH - Švýcarská konfederace
http://linked.open...ontrolniKodProRIV	[589837280F98]
http://linked.open...i/riv/nazevZdroje	Journal of Alloys and Compounds
http://linked.open...in/vavai/riv/obor	BH
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...vavai/riv/projekt	South Bohemian Research Center of Aquaculture and Biodiversity of Hydrocenoses
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	546
http://linked.open...iv/tvurceVysledku	Reshak, Ali Hussain Auluck, S. Kityk, I. V. Kamarudin, H. Ebothe, J. Fedorchuk, A. O. Fedyna, M. F.
http://linked.open...ain/vavai/riv/wos	000311503000003
issn	0925-8388
number of pages	6 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.jallcom.2012.08.073
http://localhost/t...ganizacniJednotka	12520

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