About: Bismuth in gallium arsenide: Structural and electronic properties of GaAs1-xBix alloys     Goto   Sponge   NotDistinct   Permalink

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  • 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. (en)
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 (en)
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  • Bismuth in gallium arsenide: Structural and electronic properties of GaAs1-xBix alloys
  • Bismuth in gallium arsenide: Structural and electronic properties of GaAs1-xBix alloys (en)
skos:notation
  • RIV/60076658:12520/12:43884021!RIV13-MSM-12520___
http://linked.open...avai/riv/aktivita
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  • P(ED2.1.00/01.0024)
http://linked.open...iv/cisloPeriodika
  • 02
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
  • Reshak, Ali Hussain
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  • 125224
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  • RIV/60076658:12520/12:43884021
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  • FPLAPW; DFT; Bismuth-containing semiconductors; GaAs1-xBix alloys; GROWTH; SEMICONDUCTORS; MOLECULAR-BEAM EPITAXY; GENERALIZED GRADIENT APPROXIMATION (en)
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  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [76765CDCB5D7]
http://linked.open...i/riv/nazevZdroje
  • Journal of Solid State Chemistry
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  • 186
http://linked.open...iv/tvurceVysledku
  • Reshak, Ali Hussain
  • Auluck, S.
  • Kityk, I. V.
  • Kamarudin, H.
http://linked.open...ain/vavai/riv/wos
  • 000299801400007
issn
  • 0022-4596
number of pages
http://bibframe.org/vocab/doi
  • 10.1016/j.jssc.2011.11.018
http://localhost/t...ganizacniJednotka
  • 12520
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