• DocumentCode
    3368915
  • Title

    Electron energy bands of CdO crystal evaluated with accounting of the strong correlated electrons

  • Author

    Syrotyuk, S. ; Shved, V.

  • Author_Institution
    Lviv Polytechnic National University, Ukraine
  • fYear
    2012
  • fDate
    3-7 Sept. 2012
  • Firstpage
    142
  • Lastpage
    143
  • Abstract
    The electron energy bands and densities of states have been calculated within the projector augmented waves (PAW) formalism. The PBE exchange-correlation functional gives the absence of the gap contrary to the experiment. The account of the exact exchange substantially improves the results for direct and indirect interband gaps.
  • Keywords
    Approximation methods; Cadmium; Crystals; Equations; Mathematical model; Photonic band gap; Wave functions; electronic structure calculations; exact exchange for correlated electrons; projector augmented wave method; strongly correlated electrons;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Oxide Materials for Electronic Engineering (OMEE), 2012 IEEE International Conference on
  • Conference_Location
    Lviv, Ukraine
  • Print_ISBN
    978-1-4673-4491-3
  • Type

    conf

  • DOI
    10.1109/OMEE.2012.6464813
  • Filename
    6464813
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=3368915