Effect of Cu-doping on the electronic structure and optical properties of LaNi5

Yu V. Knyazev, A. V. Lukoyanov, Yu I. Kuz'Min, A. G. Kuchin

Research output: Contribution to journalArticlepeer-review

13 Citations (Scopus)

Abstract

Optical properties of intermetallic isostructural compounds LaNi 5-xCux (x = 0, 0.6, 1, 1.2) have been studied in the spectral range from 0.22 to 15 μm using the ellipsometry method. It was found that the substitution of copper for nickel leads to local changes in the optical conductivity spectra. Theoretical calculations of the electronic structure and interband optical conductivity of LaNi5-xCux compounds with x = 0, 1, 2, 3 were performed in the generalized gradient approximation within the pseudopotential plane-wave method PWSCF. Both the optical spectroscopic measurements and theoretical calculations demonstrate the presence of a broad absorption band around 4 eV associated with the Cu 3d → Ni 3d electron transitions and increasing with the growth of copper content.

Original languageEnglish
Pages (from-to)5238-5241
Number of pages4
JournalJournal of Alloys and Compounds
Volume509
Issue number17
DOIs
Publication statusPublished - 28 Apr 2011
Externally publishedYes

Keywords

  • Electronic band structure
  • Optical properties
  • Rare-earth alloys and compounds

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