Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/75711
Title: Electronic structure of intermetallic antiferromagnet GdNiGe
Authors: Baglasov, E. D.
Lukoyanov, A. V.
Issue Date: 2019
Publisher: MDPI AG
Citation: Baglasov E. D. Electronic structure of intermetallic antiferromagnet GdNiGe / E. D. Baglasov, A. V. Lukoyanov // Symmetry. — 2019. — Vol. 11. — Iss. 6. — 737.
Abstract: The electronic structure of the GdNiGe ternary intermetallic compound was investigated in this work. We carried out the spin-polarized DFT+U calculations of its band structure within generalized gradient approximation accounting for strong electronic correlations in the 4f-shell of gadolinium ions. The antiferromagnetic ordering was reproduced in the calculations, in agreement with experimental data. The calculated equilibrium volume is within 2% accuracy to the experimental crystal structure data, which demonstrates the reliability of the method chosen. The 4f-shell of Gd was demonstrated to substantially contribute to the spectral and magnetic properties of the GdNiGe compounds, whereas other ions were found nonmagnetic, in agreement with experimental data. © 2019 by the authors.
Keywords: ANTIFERROMAGNETIC ORDERING
DFT+U
ELECTRONIC STRUCTURE
INTERMETALLIC COMPOUND
URI: http://hdl.handle.net/10995/75711
metadata.dc.rights: info:eu-repo/semantics/openAccess
SCOPUS ID: 85068077604
WOS ID: WOS:000475703000012
PURE ID: 10028773
ISSN: 2073-8994
DOI: 10.3390/sym11060737
metadata.dc.description.sponsorship: This research was supported by Russian Science Foundation (project No. 18-72-10098).
RSCF project card: 18-72-10098
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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