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Statements

Subject Item
n2:RIV%2F49777513%3A23640%2F14%3A43920817%21RIV15-MSM-23640___
rdf:type
skos:Concept n18:Vysledek
dcterms:description
We have presented an analysis of some important electronic and optical characteristics of the Rb2Al2B2O7 compound, based on the ab initio calculations of its electronic band structure, electronic charge density and dielectric tensor function. The band gap is found to be indirect of about 4.156, 4.471 and 5.205 eV for LDA, GGA and EVGGA respectively. We have presented an analysis of some important electronic and optical characteristics of the Rb2Al2B2O7 compound, based on the ab initio calculations of its electronic band structure, electronic charge density and dielectric tensor function. The band gap is found to be indirect of about 4.156, 4.471 and 5.205 eV for LDA, GGA and EVGGA respectively.
dcterms:title
Electronic Structure, Electronic Charge Density and Optical Properties Analyses of Rb2Al2B2O7 Compound: DFT Calculation Electronic Structure, Electronic Charge Density and Optical Properties Analyses of Rb2Al2B2O7 Compound: DFT Calculation
skos:prefLabel
Electronic Structure, Electronic Charge Density and Optical Properties Analyses of Rb2Al2B2O7 Compound: DFT Calculation Electronic Structure, Electronic Charge Density and Optical Properties Analyses of Rb2Al2B2O7 Compound: DFT Calculation
skos:notation
RIV/49777513:23640/14:43920817!RIV15-MSM-23640___
n3:aktivita
n13:P
n3:aktivity
P(ED2.1.00/03.0088)
n3:cisloPeriodika
2
n3:dodaniDat
n5:2015
n3:domaciTvurceVysledku
n17:6549101 n17:5751586
n3:druhVysledku
n15:J
n3:duvernostUdaju
n6:S
n3:entitaPredkladatele
n7:predkladatel
n3:idSjednocenehoVysledku
14212
n3:idVysledku
RIV/49777513:23640/14:43920817
n3:jazykVysledku
n16:eng
n3:klicovaSlova
DFT; electronic charge density and optical properties; electronic structure
n3:klicoveSlovo
n4:electronic%20charge%20density%20and%20optical%20properties n4:DFT n4:electronic%20structure
n3:kodStatuVydavatele
RS - Srbská republika
n3:kontrolniKodProRIV
[DFDD1D6C41D4]
n3:nazevZdroje
International Journal of Electrochemical Science
n3:obor
n11:BE
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
3
n3:projekt
n8:ED2.1.00%2F03.0088
n3:rokUplatneniVysledku
n5:2014
n3:svazekPeriodika
9
n3:tvurceVysledku
Al-Jaary, Ali H. Reshak Alahmed, Z.A. Azam, Sikander
s:issn
1452-3981
s:numberOfPages
15
n9:organizacniJednotka
23640