Výsledky vyhledávání - "Zhandun, V. S."

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Orthogonal magnetic structures of Fe4O5:representation analysis and DFT calculations

Autor: Zhandun, V. S., Kazak, N. V., Kupenko, I., Vasiukov, D. M., Li, X., Blackburn, E., Ovchinnikov, S. G.

The magnetic and electronic structures of Fe4O5 have been investigated at ambient and high pressures via a combination of representation analysis, density functional theory (DFT+U) calculations, and M\"ossbauer spectroscopy. A few spin configurations

Externí odkaz: http://arxiv.org/abs/2301.02824

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Akademický článek

Magnetic Structure and the Spin-Crossover Mechanism in Ludwigite Со3BO5.

Autor: Zamkova, N. G.¹ (AUTHOR) ngzamkova@gmail.com, Zhandun, V. S.¹ (AUTHOR), Ovchinnikov, S. G.^1,2 (AUTHOR)

Publikováno v: JETP Letters. Sep2023, Vol. 118 Issue 5, p321-327. 7p.

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Self-consistent mapping: Effect of local environment on formation of magnetic moment in alpha-FeSi2

Autor: Zhandun, V. S., Zamkova, N. G., Ovchinnikov, S. G., Sandalov, I. S.

Publikováno v: Phys. Rev. B 95, 054429 (2017)

We suggest here the method of the mapping of DFT calculations on the multiorbital model in a following way: the parameters of the formulated multiorbital model should be determined from the requirement that the self-consistent charge and spin densiti

Externí odkaz: http://arxiv.org/abs/1609.04624

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Effect of local environment on moment formation in iron silicides

Autor: Zamkova, N. G., Zhandun, V. S., Ovchinnikov, S. G., Sandalov, I. S.

The effect of local environment on the formation of magnetic moments on Fe atoms in iron silicides are studied by combination of ab initio and model calculations. The suggested model includes all Fe d- and Si p-orbitals, intra-atomic Coulomb interact

Externí odkaz: http://arxiv.org/abs/1607.02856

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