The influence of structural defects on the electronic properties of interstitial alloys-II. Metal substitutional impurities

A. L. Ivanovsky, V. I. Anisimov, A. I. Lichtenstein, V. A. Gubanov

Research output: Contribution to journalArticlepeer-review

16 Citations (Scopus)

Abstract

The LMTO-Green's function method is used for the study of the electronic structure of refractory interstitial alloys (TiC, TiN, VC, NbC) containing isolated substitutional impurities in the metal sublattice. The impurities considered are 3d- and some of the 4d-metals. The presence of LDOS resonances in the region of the matrix DOS minimum has been revealed for elements of the VIa-VIIIa subgroups. Self-consistent spin-polarized calculations provide estimates of the values of the local magnetic moments for the above impurities. The special features of metal impurity electron distributions with "anomalous" alloying are discussed for TiC-Mo, TiN-Mo, TiN-Ni, wherein Mo and Ni atoms have been implanted at sites of the non-metal sublattice. The calculational results are compared with available X-ray emission spectra of the alloys TixVyCz and TixNbyCz.

Original languageEnglish
Pages (from-to)479-486
Number of pages8
JournalJournal of Physics and Chemistry of Solids
Volume49
Issue number5
DOIs
Publication statusPublished - 1988
Externally publishedYes

Keywords

  • electronic properties
  • Interstitial alloys
  • metallic impurities

Fingerprint

Dive into the research topics of 'The influence of structural defects on the electronic properties of interstitial alloys-II. Metal substitutional impurities'. Together they form a unique fingerprint.

Cite this