Magnetic Structure and the Spin-Crossover Mechanism in Ludwigite Со3BO5

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Resumo

A spin-crossover mechanism in ludwigite Со3BO5 is proposed on the basis of the DFT calculation with SCAN potentials. The role of separate exchange interactions in the establishment of the long-range magnetic order is demonstrated within the Monte Carlo method.

Sobre autores

N. Zamkova

Kirensky Institute of Physics, Federal Research Center KSC, Siberian Branch, Russian Academy of Sciences;

Email: ngzamkova@gmail.com
660036, Krasnoyarsk, Russia

V. Zhandun

Kirensky Institute of Physics, Federal Research Center KSC, Siberian Branch, Russian Academy of Sciences

Email: ngzamkova@gmail.com
660036, Krasnoyarsk, Russia

S. Ovchinnikov

Kirensky Institute of Physics, Federal Research Center KSC, Siberian Branch, Russian Academy of Sciences;Siberian Federal University

Autor responsável pela correspondência
Email: ngzamkova@gmail.com
660036, Krasnoyarsk, Russia;660041, Krasnoyarsk, Russia

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