Magnetic Structure and the Spin-Crossover Mechanism in Ludwigite Со3BO5

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Дәйексөз келтіру

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Рұқсат жабық Тек жазылушылар үшін

Аннотация

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.

Авторлар туралы

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

Хат алмасуға жауапты Автор.
Email: ngzamkova@gmail.com
660036, Krasnoyarsk, Russia;660041, Krasnoyarsk, Russia

Әдебиет тізімі

  1. P. Bordet and E. Suard, Phys. Rev. B 79, 144408 (2009).
  2. M. Mir, J. Janczakb, and Y.P. Mascarenhas, J. Appl. Cryst. 39, 42 (2006).
  3. D.C. Freitas, C.P.C. Medrano, D.R. Sanchez, M. Nunez Regueiro, J.A. Rodr'ıguez-Velamaz'an, and M.A. Continentino, Phys. Rev. B 94, 174409 (2016).
  4. N.V. Kazak, M. S. Platunov, Yu.V. Knyazev, M. S. Molokeev, M.V. Gorev, S.G. Ovchinnikov, J. Bartolom'e, A. Arauzo, V.V. Yumashev, S.Yu. Gavrilkin, F. Wilhelm, and A. Rogalev, Phys. Rev. B 103, 094445 (2021).
  5. Yu.V. Knyazev, N.V. Kazak, I. I. Nazarenko, S.N. Sofronova, N.D. Rostovtsev, J. Bartolomec, A. Arauzod, and S.G. Ovchinnikov, J. Magn. Magn. Mater. 474, 493 (2019).
  6. M. Matos, J. Terra, D.E. Ellis, and A. S. Pimentel, J. Magn. Magn. Mater. 374, 148 (2015).
  7. M. Matos, J. Terra, and D.E. Ellis, Phys. Stat. Sol. B 256, 1900298 (2019).
  8. E. Vallejo and M. Avignon, J. Magn. Magn. Mater. 435, 33 (2017).
  9. G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996).
  10. P.E. Blochl, Phys. Rev. B 50, 17953 (1994).
  11. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).
  12. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
  13. H. J. Monkhorst and J.D. Pack, Phys. Rev. B 13, 5188 (1976).
  14. J. Rodriguez-Carvajal, Physica B 192, 55 (1993).
  15. S. L. Dudarev, G.A. Botton, S.Y. Savrasov, C. J. Humphreys, and A.P. Sutton, Phys. Rev. B 57, 1505 (1998).
  16. F. Damay, J. Sottmann, F. Lain'e, L. Chaix, M. Poienar, P. Beran, E. Elkaim, F. Fauth, L. Nataf, A. Guesdon, A. Maignan, and C. Martin, Phys. Rev. B 101, 094418 (2020).
  17. J. Sun, A. Ruzsinszky, and J. P. Perdew, Phys. Rev. Lett. 115, 036402 (2015).
  18. H. Xiang, Ch. Lee, H.-J. Koo, X. Gonga, and M.-H. Whangbo, Dalton Trans. 42, 823 (2013).

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