About: FP-APW + lo study of the elastic, electronic and optical properties of the filled skutterudites CeFe4As12 and CeFe4Sb12

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Using a full-relativistic version of the full-potential augmented plane wave plus local orbitals (FPAPW + lo) method within the local density approximation (LDA), we have studied the elastic, electronic and optical properties of the filled skutterudites CeFe4As12 and CeFe4Sb12. Structural parameters, including lattice constant, internal free parameters and, bulk modulus and its pressure derivative were calculated. We have determined the full set of first-order elastic constants, Young?s modulus, Poisson?s ratio and the Debye temperature of these compounds. Band structures, density of states, pressure coefficients of energy band gaps are also given. It is found that both CeFe4As12 and CeFe4Sb12 are indirect band gap semiconductors. The valence band maximum (VBM) is located at C point, whereas the conduction band minimum (CBM) is located at N point. Optical constants, including the dielectric function, optical reflectivity, refractive index and electron energy loss were calculated for radiation up to Using a full-relativistic version of the full-potential augmented plane wave plus local orbitals (FPAPW + lo) method within the local density approximation (LDA), we have studied the elastic, electronic and optical properties of the filled skutterudites CeFe4As12 and CeFe4Sb12. Structural parameters, including lattice constant, internal free parameters and, bulk modulus and its pressure derivative were calculated. We have determined the full set of first-order elastic constants, Young?s modulus, Poisson?s ratio and the Debye temperature of these compounds. Band structures, density of states, pressure coefficients of energy band gaps are also given. It is found that both CeFe4As12 and CeFe4Sb12 are indirect band gap semiconductors. The valence band maximum (VBM) is located at C point, whereas the conduction band minimum (CBM) is located at N point. Optical constants, including the dielectric function, optical reflectivity, refractive index and electron energy loss were calculated for radiation up to (en)
Title	FP-APW + lo study of the elastic, electronic and optical properties of the filled skutterudites CeFe4As12 and CeFe4Sb12 FP-APW + lo study of the elastic, electronic and optical properties of the filled skutterudites CeFe4As12 and CeFe4Sb12 (en)
skos:prefLabel	FP-APW + lo study of the elastic, electronic and optical properties of the filled skutterudites CeFe4As12 and CeFe4Sb12 FP-APW + lo study of the elastic, electronic and optical properties of the filled skutterudites CeFe4As12 and CeFe4Sb12 (en)
skos:notation	RIV/60076658:12640/09:00010092!RIV10-MSM-12640___
http://linked.open...avai/riv/aktivita	V
http://linked.open...avai/riv/aktivity	V
http://linked.open...iv/cisloPeriodika	5-6
http://linked.open...vai/riv/dodaniDat	2010
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 / Ústav fyzikální biologie
http://linked.open...dnocenehoVysledku	315480
http://linked.open...ai/riv/idVysledku	RIV/60076658:12640/09:00010092
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Skutterudites; FP-APW + lo; electronic structure; elastic properties; optical properties (en)
http://linked.open.../riv/klicoveSlovo	FP-APW + lo electronic structure elastic properties optical properties Skutterudites
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[45B636D373BA]
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	6 (xsd:int)
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	13
http://linked.open...iv/tvurceVysledku	Reshak, Ali Hussain Khenata, R. Bouhemadou, A. Rached, D. Hachemaoui, M. Semari, F.
issn	1359-0286
number of pages	7 (xsd:int)
http://localhost/t...ganizacniJednotka	12640

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