Calculation of near edge structure

Peter Rez, Jose R. Alvarez, Chris Pickard

Research output: Contribution to journalConference articlepeer-review

59 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)175-183
Number of pages9
JournalUltramicroscopy
Volume78
Issue number1-4
DOIs
StatePublished - Jun 1999
EventProceedings of the 1998 International Workshop Towards Atomic Resolution Analysis, TARA '98 Part 1 : Techniques and Instrumentation - Port Ludlow, WA, USA
Duration: Sep 6 1998Sep 11 1998

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Instrumentation

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