Ab initio investigation of the spin-reorientation phase transition in PrCo5-xNix (x = 0-5)

Alexey V. Lukoyanov

Research output: Contribution to journalArticlepeer-review

Abstract

The series PrCo5-xNix (x = 0-5) was investigated within the LDA+U+SO method taking into account strong correlations and spin-orbit coupling in Pr-4f, as well as in Ni(Co)-3d states. We give a detailed description of total energies, electronic structure and magnetic moments directions and values for all ions and concentrations considered. It was obtained that the system pass through a continuous spin transition from planar ab to the c axis directions of the Pr ion in agreement with experiments.

Original languageEnglish
Pages (from-to)51-54
Number of pages4
JournalJournal of Siberian Federal University - Mathematics and Physics
Volume10
Issue number1
DOIs
Publication statusPublished - 2017
Externally publishedYes

Keywords

  • Electronic structure
  • LDA+U+SO
  • Spin transition
  • Strong correlations

Fingerprint

Dive into the research topics of 'Ab initio investigation of the spin-reorientation phase transition in PrCo5-xNix (x = 0-5)'. Together they form a unique fingerprint.

Cite this