About: Electronic Structure, Electronic Charge Density and Optical Properties Analyses of Rb2Al2B2O7 Compound: DFT Calculation     Goto   Sponge   NotDistinct   Permalink

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  • 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. (en)
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 (en)
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 (en)
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  • RIV/49777513:23640/14:43920817!RIV15-MSM-23640___
http://linked.open...avai/riv/aktivita
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  • P(ED2.1.00/03.0088)
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  • 2
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  • 14212
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  • RIV/49777513:23640/14:43920817
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  • DFT; electronic charge density and optical properties; electronic structure (en)
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  • RS - Srbská republika
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  • [DFDD1D6C41D4]
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  • International Journal of Electrochemical Science
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  • 9
http://linked.open...iv/tvurceVysledku
  • Azam, Sikander
  • Al-Jaary, Ali H. Reshak
  • Alahmed, Z.A.
issn
  • 1452-3981
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  • 23640
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