Influence of the rare-earth site nonstoichiometry and Mn doping on the electronic structure of TbNi2

M. A. Korotin, N. A. Skorikov, A. V. Efremov, A. O. Shorikov

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

Abstract

Electronic structure and magnetic properties of Tb1-δNi2Mnx alloys (δ=0, 0.04 and 0 &x ;1) are investigated within the Coherent Potential Approximation (CPA) taking into account the strong electronic correlations (U) in Tb f-shell and the spin-orbit coupling (SO) in f-Tb, d-Ni, and d-Mn shells. Explicit consideration of electronic correlations and spin-orbit coupling is necessary for correct description of f-levels positions in the spectrum. Both vacancy in Tb site and manganese impurity in Tb and Ni sites cause the decrease of the total magnetic moment value J keeping its direction [111]. The absolute value of |J| decreases linearly with the increase of Mn impurity concentration; the ratio of |J|(Tb0.96Ni2Mn1)/|J|(Tb0.96Ni2) is 0.66 which agrees well with experiment.

Original languageEnglish
Pages (from-to)115-119
Number of pages5
JournalJournal of Magnetism and Magnetic Materials
Volume397
DOIs
Publication statusPublished - 1 Jan 2016
Externally publishedYes

Keywords

  • coherent potential approximation
  • electronic structure
  • magnetic properties
  • spin-orbit coupling
  • strong electronic correlations

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