Exchange Interaction between the Excited States of Magnetic Ions

S. G. Ovchinnikov; V. A. Gavrichkov; S. I. Polukeev; A. V. Malakhovskii

doi:10.1134/s0031918x19130210

Exchange Interaction between the Excited States of Magnetic Ions

S. G. Ovchinnikov, V. A. Gavrichkov, S. I. Polukeev, A. V. Malakhovskii

RAS - Kirensky Institute of Physics, Siberian Branch

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

Abstract: Within the framework of the LDA + GTB multielectron approach to the electron structure of Mott–Hubbard insulators a scheme is developed for constructing the effective low-energy Hamiltonian that includes not only the ground state of the magnetic cations, but also the excited terms. The mathematical apparatus of the theory are Hubbard operators built on the many-electron states of the cation in the dⁿ configuration. The occupation of the excited term under optical pumping can change the sign of the exchange interaction of the excited cation with the neighboring cation in the ground state. Another variant of the occupation of the excited states is connected with a spin crossover when the excited and the ground terms change over, for example, at high pressure. Examples are given for such crystals as FeBO₃, Nd_0.5Gd_0.5Fe₃(BO₃)₄ and NiO.

Original language	English
Pages (from-to)	1333-1336
Number of pages	4
Journal	Physics of Metals and Metallography
Volume	120
Issue number	13
DOIs	https://doi.org/10.1134/s0031918x19130210
State	Published - 1 Dec 2019
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2019, Pleiades Publishing, Ltd.

Funding

This work was supported by the Russian Science Foundation, project no. 18-12-00022.

Funders	Funder number
Russian Science Foundation	18-12-00022

Keywords

exchange in an excited state
exchange interaction
spin crossover

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10.1134/s0031918x19130210

Cite this

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AU - Gavrichkov, V. A.

AU - Polukeev, S. I.

AU - Malakhovskii, A. V.

PY - 2019/12/1

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N2 - Abstract: Within the framework of the LDA + GTB multielectron approach to the electron structure of Mott–Hubbard insulators a scheme is developed for constructing the effective low-energy Hamiltonian that includes not only the ground state of the magnetic cations, but also the excited terms. The mathematical apparatus of the theory are Hubbard operators built on the many-electron states of the cation in the dn configuration. The occupation of the excited term under optical pumping can change the sign of the exchange interaction of the excited cation with the neighboring cation in the ground state. Another variant of the occupation of the excited states is connected with a spin crossover when the excited and the ground terms change over, for example, at high pressure. Examples are given for such crystals as FeBO3, Nd0.5Gd0.5Fe3(BO3)4 and NiO.

AB - Abstract: Within the framework of the LDA + GTB multielectron approach to the electron structure of Mott–Hubbard insulators a scheme is developed for constructing the effective low-energy Hamiltonian that includes not only the ground state of the magnetic cations, but also the excited terms. The mathematical apparatus of the theory are Hubbard operators built on the many-electron states of the cation in the dn configuration. The occupation of the excited term under optical pumping can change the sign of the exchange interaction of the excited cation with the neighboring cation in the ground state. Another variant of the occupation of the excited states is connected with a spin crossover when the excited and the ground terms change over, for example, at high pressure. Examples are given for such crystals as FeBO3, Nd0.5Gd0.5Fe3(BO3)4 and NiO.

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Exchange Interaction between the Excited States of Magnetic Ions

Abstract

Bibliographical note

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Keywords

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