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|Title:||Electronic structure of intermetallic antiferromagnet GdNiGe|
|Authors:||Baglasov, E. D.|
Lukoyanov, A. V.
|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.|
|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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