• Title of article

    Calculation of near edge structure

  • Author/Authors

    Rez، نويسنده , , Peter and Alvarez، نويسنده , , Jose R. and Pickard، نويسنده , , Chris، نويسنده ,

  • Issue Information
    دوماهنامه با شماره پیاپی سال 1999
  • Pages
    9
  • From page
    175
  • To page
    183
  • Abstract
    Near edge fine structure has the potential to solve problems related to localised electronic states and bonding. Theory and calculation provide the link between electronic or structural properties and features observed in an electron loss spectrum. A hierarchy of approximations for the calculation of near edge structure features is introduced and the importance of using a self-consistent charge density and potential is emphasised. The use of various electronic structure calculation methods and their application to near edge structure calculation is reviewed. Finally, core hole effects are discussed and examples presented for cubic BN showing that the core hole mainly enhances intensity near threshold.
  • Journal title
    Ultramicroscopy
  • Serial Year
    1999
  • Journal title
    Ultramicroscopy
  • Record number

    2155202