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Article

Electronic Structure of Intermetallic Antiferromagnet GdNiGe

1
Institute of Physics and Technology, Ural Federal University, 620002 Ekaterinburg, Russia
2
M.N. Miheev Institute of Metal Physics, Ural Branch of Russian Academy of Sciences, 620108 Ekaterinburg, Russia
*
Author to whom correspondence should be addressed.
Symmetry 2019, 11(6), 737; https://doi.org/10.3390/sym11060737
Received: 10 April 2019 / Revised: 26 May 2019 / Accepted: 27 May 2019 / Published: 30 May 2019
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. View Full-Text
Keywords: electronic structure; DFT+U; intermetallic compound; antiferromagnetic ordering electronic structure; DFT+U; intermetallic compound; antiferromagnetic ordering
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MDPI and ACS Style

Baglasov, E.D.; Lukoyanov, A.V. Electronic Structure of Intermetallic Antiferromagnet GdNiGe. Symmetry 2019, 11, 737. https://doi.org/10.3390/sym11060737

AMA Style

Baglasov ED, Lukoyanov AV. Electronic Structure of Intermetallic Antiferromagnet GdNiGe. Symmetry. 2019; 11(6):737. https://doi.org/10.3390/sym11060737

Chicago/Turabian Style

Baglasov, Evgenii D., and Alexey V. Lukoyanov 2019. "Electronic Structure of Intermetallic Antiferromagnet GdNiGe" Symmetry 11, no. 6: 737. https://doi.org/10.3390/sym11060737

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