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Statements

Subject Item
n2:RIV%2F60076658%3A12640%2F09%3A00010092%21RIV10-MSM-12640___
rdf:type
n14:Vysledek skos:Concept
dcterms: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
dcterms: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
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
skos:notation
RIV/60076658:12640/09:00010092!RIV10-MSM-12640___
n4:aktivita
n15:V
n4:aktivity
V
n4:cisloPeriodika
5-6
n4:dodaniDat
n8:2010
n4:domaciTvurceVysledku
Reshak, Ali Hussain
n4:druhVysledku
n11:J
n4:duvernostUdaju
n16:S
n4:entitaPredkladatele
n10:predkladatel
n4:idSjednocenehoVysledku
315480
n4:idVysledku
RIV/60076658:12640/09:00010092
n4:jazykVysledku
n12:eng
n4:klicovaSlova
Skutterudites; FP-APW + lo; electronic structure; elastic properties; optical properties
n4:klicoveSlovo
n6:electronic%20structure n6:FP-APW%20%2B%20lo n6:elastic%20properties n6:Skutterudites n6:optical%20properties
n4:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n4:kontrolniKodProRIV
[45B636D373BA]
n4:nazevZdroje
Current Opinion in Solid State & Materials Science
n4:obor
n5:BO
n4:pocetDomacichTvurcuVysledku
1
n4:pocetTvurcuVysledku
6
n4:rokUplatneniVysledku
n8:2009
n4:svazekPeriodika
13
n4:tvurceVysledku
Semari, F. Bouhemadou, A. Rached, D. Reshak, Ali Hussain Khenata, R. Hachemaoui, M.
s:issn
1359-0286
s:numberOfPages
7
n13:organizacniJednotka
12640