Magnetic Structure and the Spin-Crossover Mechanism in Ludwigite Со3BO5

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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.

作者简介

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

编辑信件的主要联系方式.
Email: ngzamkova@gmail.com
660036, Krasnoyarsk, Russia;660041, Krasnoyarsk, Russia

参考

  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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