Application of LAPW and Green-function methods to calculation of electronic structure of crystal defects

V. S. Stepanyuk, A. Szász, A. A. Katsnelson, A. V. Kozlov, O. V. Farberovich

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

Calculations based on the Linear Augmented Plane-Wave (LAPW) which was treated by the KKR-Green-function method were performed for the electronic structure of 3 d impurities (Sc, Ti, V, Cr, Mn, Fe, Co, Ni) in Cu-matrix as well as for vacancies in Cu and Ni. The results are in good agreement with experiments.

Original languageEnglish
Pages (from-to)391-396
Number of pages6
JournalZeitschrift für Physik B Condensed Matter
Volume81
Issue number3
DOIs
Publication statusPublished - Oct 1990

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Crystal defects
Wave functions
Green's function
crystal defects
Vacancies
Electronic structure
plane waves
Green's functions
wave functions
Impurities
electronic structure
impurities
matrices
Experiments

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

Application of LAPW and Green-function methods to calculation of electronic structure of crystal defects. / Stepanyuk, V. S.; Szász, A.; Katsnelson, A. A.; Kozlov, A. V.; Farberovich, O. V.

In: Zeitschrift für Physik B Condensed Matter, Vol. 81, No. 3, 10.1990, p. 391-396.

Research output: Contribution to journalArticle

Stepanyuk, V. S. ; Szász, A. ; Katsnelson, A. A. ; Kozlov, A. V. ; Farberovich, O. V. / Application of LAPW and Green-function methods to calculation of electronic structure of crystal defects. In: Zeitschrift für Physik B Condensed Matter. 1990 ; Vol. 81, No. 3. pp. 391-396.
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