GdFe2 Laves phase intermetallic system under pressure: an ab-initio study

Here we perform abinitio study of Curie temperature TC under hydrostatic pressure for intermetallic compound GdFe2. To calculate TC for GdFe2 we applied mean-field solution of the Heisenberg model for several magnetic sublattices with DFT/LDA calculated values of necessary exchange interaction integ...

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Bibliographic Details
Published inJournal of physics. Conference series Vol. 1389; no. 1
Main Authors Kokorina, E E, Medvedev, M V, Nekrasov, I A
Format Journal Article
LanguageEnglish
Published Bristol IOP Publishing 01.11.2019
Subjects
Curie temperature
Gadolinium
Heisenberg theory
Hydrostatic pressure
Intermetallic compounds
Laves phase
Magnetic moments
Magnetism
Physics
Statistical models
Unit cell
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Summary:Here we perform abinitio study of Curie temperature TC under hydrostatic pressure for intermetallic compound GdFe2. To calculate TC for GdFe2 we applied mean-field solution of the Heisenberg model for several magnetic sublattices with DFT/LDA calculated values of necessary exchange interaction integrals and local magnetic moments. To compare with available experimental data pressure values were taken from zero up to about 70 Kbar. It corresponds to 2% compression of the volume of the unit cell. In agreement with experimental data TC grows under pressure. It was shown that Fe ions magnetic sublattice alone provides only about 75% of the experimental Curie temperature TCexp. Gd sublattice is found to give very weak contribution to the TCexp. Here we show that the missing 25 % of TCexp comes from Fe-Gd exchange pairs.
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/1389/1/012076