About: Structural, electronic, and optical properties of orthorhombic and triclinic BiNbO4 determined via DFT calculations     Goto   Sponge   NotDistinct   Permalink

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  • We performed ab initio calculations using the FPLAW method with the local density approximation (LDA) implemented in the WIEN2 k code for the orthorhombic (a) and triclinic (b) phases of BiNbO4. The modified Becke-Johnson exchange potential (mBJ)-LDA approach was also used to improve the electronic properties.
  • We performed ab initio calculations using the FPLAW method with the local density approximation (LDA) implemented in the WIEN2 k code for the orthorhombic (a) and triclinic (b) phases of BiNbO4. The modified Becke-Johnson exchange potential (mBJ)-LDA approach was also used to improve the electronic properties. (en)
Title
  • Structural, electronic, and optical properties of orthorhombic and triclinic BiNbO4 determined via DFT calculations
  • Structural, electronic, and optical properties of orthorhombic and triclinic BiNbO4 determined via DFT calculations (en)
skos:prefLabel
  • Structural, electronic, and optical properties of orthorhombic and triclinic BiNbO4 determined via DFT calculations
  • Structural, electronic, and optical properties of orthorhombic and triclinic BiNbO4 determined via DFT calculations (en)
skos:notation
  • RIV/49777513:23640/14:43922667!RIV15-MSM-23640___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(ED2.1.00/03.0088)
http://linked.open...iv/cisloPeriodika
  • 22
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  • 47861
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  • RIV/49777513:23640/14:43922667
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  • DFT; BiNbO4 determined; optical properties; electronic; Structural (en)
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  • US - Spojené státy americké
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  • [BA3CFE6F34BF]
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  • Journal of Materials Science
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  • 49
http://linked.open...iv/tvurceVysledku
  • Khenata, R.
  • Bouhemadou, A.
  • Litimein, F.
  • Bin Omran, S.
  • Murtaza, G.
  • Al-Jaary, Ali H. Reshak
  • Gupta, Sanjeev K.
  • Jha, Prafulla K.
  • Yousaaf, Masood
http://linked.open...ain/vavai/riv/wos
  • 000341419900019
issn
  • 0022-2461
number of pages
http://bibframe.org/vocab/doi
  • 10.1007/s10853-014-8491-x
http://localhost/t...ganizacniJednotka
  • 23640
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