Abstract
We report a theoretical approach to the investigation of the magnetic hyperfine interaction on the \(^{51}\)V nucleus in Lu\(_2\)V\(_2\)O\(_7\) with the view of understanding the orbital ordering pattern in this compound. First, we have evaluated the vanadium 3\(d^1\)-level splitting (\(\Delta \)) under the crystal field with the D \(_{3d}\)-symmetry using the point charges approximation. Second, we have calculated the exchange interaction constant (J) using the ab initio approach. It is shown that the crystal field energy is much stronger than the exchange interaction one and hence the orbital liquid state cannot occur in Lu\(_2\)V\(_2\)O\(_7\). Finally we have analyzed the magnetic hyperfine field affecting the vanadium nucleus leaning upon these results.
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Acknowledgments
Authors are grateful to professor M.I. Kurkin for helpful discussions. This work was partially supported by the Russian Foundation for Basic Research (Project No. 14-02-00260), the Ministry of Education and Science of Russia (Grant No. 3.571.2014/K), the Russian Government (Contract No. 02.03.21.0006, Regulation No. 211), and the URAN Computing Platform (IMM UB RAS, Ekaterinburg, Russia).
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Agzamova, P., Nikiforov, A. & Nazipov, D. Magnetic Hyperfine Fields in Lu\(_2\)V\(_2\)O\(_7\): A Model Approach. J Low Temp Phys 185, 544–550 (2016). https://doi.org/10.1007/s10909-016-1548-2
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DOI: https://doi.org/10.1007/s10909-016-1548-2