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Statements

Subject Item
n2:RIV%2F60076658%3A12520%2F12%3A43884021%21RIV13-MSM-12520___
rdf:type
n8:Vysledek skos:Concept
dcterms:description
The structural and electronic properties of cubic GaAs(1-x)Bix alloys with bismuth concentration 0.0, 0.25, 0.50, 0.75 and 1.0 are studied using the 'special quasi-random structures' (SQS) approach of Zunger along with the generalized gradient approximation (GGA) and the Engel-Vosko generalized gradient approximation (EV-GGA). The lattice constant, bulk modulus, derivative of bulk modulus and energy gap vary with bismuth concentration nonlinearly. The present calculations show that the band gap decreases substantially with increasing bismuth concentration and that spin-orbit coupling influences the nature of bonding at high Bi concentrations. The structural and electronic properties of cubic GaAs(1-x)Bix alloys with bismuth concentration 0.0, 0.25, 0.50, 0.75 and 1.0 are studied using the 'special quasi-random structures' (SQS) approach of Zunger along with the generalized gradient approximation (GGA) and the Engel-Vosko generalized gradient approximation (EV-GGA). The lattice constant, bulk modulus, derivative of bulk modulus and energy gap vary with bismuth concentration nonlinearly. The present calculations show that the band gap decreases substantially with increasing bismuth concentration and that spin-orbit coupling influences the nature of bonding at high Bi concentrations.
dcterms:title
Bismuth in gallium arsenide: Structural and electronic properties of GaAs1-xBix alloys Bismuth in gallium arsenide: Structural and electronic properties of GaAs1-xBix alloys
skos:prefLabel
Bismuth in gallium arsenide: Structural and electronic properties of GaAs1-xBix alloys Bismuth in gallium arsenide: Structural and electronic properties of GaAs1-xBix alloys
skos:notation
RIV/60076658:12520/12:43884021!RIV13-MSM-12520___
n8:predkladatel
n13:orjk%3A12520
n3:aktivita
n6:P
n3:aktivity
P(ED2.1.00/01.0024)
n3:cisloPeriodika
02
n3:dodaniDat
n9:2013
n3:domaciTvurceVysledku
Reshak, Ali Hussain
n3:druhVysledku
n18:J
n3:duvernostUdaju
n17:S
n3:entitaPredkladatele
n16:predkladatel
n3:idSjednocenehoVysledku
125224
n3:idVysledku
RIV/60076658:12520/12:43884021
n3:jazykVysledku
n12:eng
n3:klicovaSlova
FPLAPW; DFT; Bismuth-containing semiconductors; GaAs1-xBix alloys; GROWTH; SEMICONDUCTORS; MOLECULAR-BEAM EPITAXY; GENERALIZED GRADIENT APPROXIMATION
n3:klicoveSlovo
n4:Bismuth-containing%20semiconductors n4:DFT n4:SEMICONDUCTORS n4:GENERALIZED%20GRADIENT%20APPROXIMATION n4:FPLAPW n4:GROWTH n4:GaAs1-xBix%20alloys n4:MOLECULAR-BEAM%20EPITAXY
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[76765CDCB5D7]
n3:nazevZdroje
Journal of Solid State Chemistry
n3:obor
n5:BH
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
4
n3:projekt
n19:ED2.1.00%2F01.0024
n3:rokUplatneniVysledku
n9:2012
n3:svazekPeriodika
186
n3:tvurceVysledku
Kamarudin, H. Reshak, Ali Hussain Auluck, S. Kityk, I. V.
n3:wos
000299801400007
s:issn
0022-4596
s:numberOfPages
7
n15:doi
10.1016/j.jssc.2011.11.018
n14:organizacniJednotka
12520