The self-consistent fully relativistic SKKR Green function method: Applications to the (100), (110) and (111) surfaces of Au and Pt

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Abstract

The fully relativistic version of the screened Korringa-Kohn-Rostoker (SKKR) method is discussed and applied charge self-consistently to the (100), (110) and (111) surfaces of Au and Pt. In comparison to corresponding semi-relativistic calculations for Au it is found that spectral densities depend very crucially on the inclusion of relativistic effects. In terms of work functions, however, the difference between the semi-relativistic and the relativistic calculations is rather small.

Original languageEnglish
Article number006
Pages (from-to)3301-3306
Number of pages6
JournalJournal of Physics: Condensed Matter
Volume6
Issue number18
DOIs
Publication statusPublished - Dec 1 1994

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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