Magnetic Anisotropy of Single-Ion Magnet (PPh4)2 [ReF6]·2H2O

Обложка

Цитировать

Полный текст

Открытый доступ Открытый доступ
Доступ закрыт Доступ предоставлен
Доступ закрыт Только для подписчиков

Аннотация

Studying of single-molecule magnets has sprung many surprises such as, e.g., quantum tunneling of the magnetization, which is strongly related to the presence of a magnetic anisotropy. Electron spin resonance and inelastic neutron scattering measurements of (PPh4)2[ReF6]⋅2H2O complex evidence an unprecedented large single-site magnetic anisotropy of D@35  K in this material. Using state-of-the-art ab initio calculations we found that the single-ion anisotropy is indeed very large (but does not exceed 12 K) and revealed the physical mechanism lying behind this phenomenon.

Об авторах

L. S Taran

Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, 620137, Yekaterinburg, Russia

Email: letters@kapitza.ras.ru

V. Y Elfimova

Institute of Physics and Technology, Ural Federal University, 620002, Yekaterinburg, Russia

Email: letters@kapitza.ras.ru

S. V Streltsov

Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, 620137, Yekaterinburg, Russia; Institute of Physics and Technology, Ural Federal University, 620002, Yekaterinburg, Russia

Автор, ответственный за переписку.
Email: letters@kapitza.ras.ru

Список литературы

  1. V. V. Novikov and Yu. V. Nelyubina, Russ. Chem. Rev. 90, 1330 (2021); 10.1070/RCR5002.
  2. K. S. Pedersen, M. Sigrist, M. A. S�rensen, A.-L. Barra, T. Weyhermu�ller, S. Piligkos, C. Aa. Thuesen, M. G. Vinum, H. Mutka, H. Weihe, R. Cl'erac, and J. Bendix, Angewandte Chemie International Edition 53, 1351 (2014); 10.1002/anie.201309981.
  3. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993); 10.1103/PhysRevB.47.558.
  4. G. Kresse and J. Furthmu�ller, Comput. Mater. Sci. 6, 15 (1996); 10.1016/0927-0256(96)00008-0.
  5. G. Kresse and J. Furthmu�ller, Phys. Rev. B 54, 11169 (1996); 10.1103/PhysRevB.54.11169.
  6. K. Lejaeghere, G. Bihlmayer, T. Bj�orkman et al. (Collaboration), Science 351, aad3000 (2016); 10.1126/science.aad3000.
  7. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999); 10.1103/PhysRevB.59.1758.
  8. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 78, 1396 (1997); 10.1103/PhysRevLett.78.1396.
  9. S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B 57, 1505 (1998); 10.1103/PhysRevB.57.1505.
  10. A. Abragam and B. Bleaney, Electron Paramagnetic Resonance of Transition Ions, Clarendon press, Oxford (1970).
  11. M. Vijayakumar and M. S. Gopinathan, Journal of Molecular Structure (Theochem) 361, 15 (1996).

Дополнительные файлы

Доп. файлы
Действие
1. JATS XML
Скачать

© Российская академия наук, 2023