High-temperature expansion method for calculating paramagnetic exchange interactions / Sotnikov O. M.,Mazurenko V. V. // PHYSICAL REVIEW B. - 2016. - V. 94, l. 19.

ISSN/EISSN:

2469-9950 / 2469-9969

Type:

Article

Abstract:

The method for calculating the isotropic exchange interactions in the paramagnetic phase is proposed. It is based on the mapping of the high-temperature expansion of the spin-spin correlation function calculated for the Heisenberg model onto the Hubbard Hamiltonian one. The resulting expression for the exchange interaction has a compact and transparent formulation. The quality of the calculated exchange interactions is estimated by comparing the eigenvalue spectra of the Heisenberg model and low-energy magnetic part of the Hubbard model. By the example of quantum rings at half-filling with different hopping setups, we analyze contributions from different parts of the Hubbard model spectrum to the resulting exchange interaction. The developed method can be applied for simulating magnetic couplings in correlated materials and surface nanostructures.

Author keywords:

SUPEREXCHANGE INTERACTIONS; MAGNETIC-INTERACTIONS; CORRELATED SYSTEMS; SPIN RINGS; MODEL; TRANSITION; ALLOYS; METALS

DOI:

10.1103/PhysRevB.94.195107

Web of Science ID:

ISI:000399319000003

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	NOV 2
Publisher	AMER PHYSICAL SOC
Address	ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
Language	English
Article-Number	195107
EISSN	2469-9969
Keywords-Plus	SUPEREXCHANGE INTERACTIONS; MAGNETIC-INTERACTIONS; CORRELATED SYSTEMS; SPIN RINGS; MODEL; TRANSITION; ALLOYS; METALS
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
ResearcherID-Numbers	Mazurenko, Vladimir/P-9241-2017 Sotnikov, Oleg/P-4374-2017
Funding-Acknowledgement	Russian Science Foundation {[}15-12-20021]; Russian Federation {[}MD-6458.2016.2]
Funding-Text	We acknowledge fruitful communications with M. Katsnelson, A. Lichtenstein, A. Secchi, A. Tsirlin, A. Katanin, S. Brener, I. Solovyev, and V. Anisimov. The work is supported by the grant program of the Russian Science Foundation Grant No. 15-12-20021. Modeling of the dimer on a surface (Section IV) was funded by the grant of the President of Russian Federation MD-6458.2016.2.
Number-of-Cited-References	51
Journal-ISO	Phys. Rev. B
Doc-Delivery-Number	ES1WZ