Отправить статью по E-mail 
Electron correlation e ects in paramagnetic cobalt
- Авторы: Belozerov A.S1, Anisimov V.I2,3
-
Учреждения:
- Department of Physics, University of Hamburg, 20355, Hamburg, Germany
- Mikheev Institute of Metal Physics, Russian Academy of Sciences, 620108, Yekaterinburg, Russia
- Ural Federal University, 620002, Yekaterinburg, Russia
- Выпуск: Том 117, № 11-12 (6) (2023)
- Страницы: 863-864
- Раздел: Статьи
- URL: https://journal-vniispk.ru/0370-274X/article/view/145233
- DOI: https://doi.org/10.31857/S1234567823110095
- EDN: https://elibrary.ru/DJRPKP
- ID: 145233
Цитировать
Открытый доступ
Доступ предоставлен
Только для подписчиков
Аннотация
We study the influence of Coulomb correlations on spectral and magnetic properties of fcc cobalt using a combination of density functional theory and dynamical mean-field theory. The computed uniform and local magnetic susceptibilities obey the Curie–Weiss law, which, as we demonstrate, occurs due to the partial formation of local magnetic moments. We find that the lifetime of these moments in cobalt is significantly less than in bcc iron, suggesting a more itinerant magnetism in cobalt. In contrast to the bcc iron, the obtained electron self-energies exhibit a quasiparticle shape with the quasiparticle mass enhancement factor m*/m ~ 1.8, corresponding to moderately correlated metal. Finally, our calculations reveal that the static magnetic susceptibility of cobalt is dominated by ferromagnetic correlations, as evidenced by its momentum dependence.
Об авторах
A. S Belozerov
Department of Physics, University of Hamburg, 20355, Hamburg, Germany
Email: letters@kapitza.ras.ru
V. I Anisimov
Mikheev Institute of Metal Physics, Russian Academy of Sciences, 620108, Yekaterinburg, Russia; Ural Federal University, 620002, Yekaterinburg, Russia
Автор, ответственный за переписку.
Email: letters@kapitza.ras.ru
Список литературы
- E. G. Moroni, G. Kresse, J. Hafner, and J. Furthmu¨ller, Phys. Rev. B 56, 15629 (1997).
- T. C. Leung, C. T. Chan, and B. N. Harmon, Phys. Rev. B 44, 2923 (1991).
- M. K¨orling and J. H¨aglund, Phys. Rev. B 45, 13293 (1992).
- J.-H. Cho and M. Sche er, Phys. Rev. B 53, 10685 (1996).
- S. F. Matar, A. Houari, and M. A. Belkhir, Phys. Rev. B 75, 245109 (2007).
- V. A. de la Pen˜a O'Shea, I. de P. R. Moreira, A. Rold'an, and F. Illas, J. Chem. Phys. 133, 024701 (2010).
- A. A. Katanin, A. I. Poteryaev, A. V. Efremov, A. O. Shorikov, S. L. Skornyakov, M. A. Korotin, and V. I. Anisimov, Phys. Rev. B 81, 045117 (2010).
- P. A. Igoshev, A. V. Efremov, A. I. Poteryaev, A. A. Katanin, and V. I. Anisimov, Phys. Rev. B 88, 155120 (2013).
- A. S. Belozerov, A. A. Katanin, and V. I. Anisimov, J.Phys.: Condens. Matter 33, 385601 (2021).
- A. Hausoel, M. Karolak, E. S¸a¸sıo˘glu, A. Lichtenstein, K. Held, A. Katanin, A. Toschi, and G. Sangiovanni, Nat.Commun. 8, 16062 (2017).
- A. S. Belozerov, A. A. Katanin, and V. I. Anisimov, Phys. Rev. B 107, 035116 (2023).
- A. Georges, G. Kotliar, W. Krauth, and M. J. Rozenberg, Rev. Mod. Phys. 68, 13 (1996).
- V. I. Anisimov, A. I. Poteryaev, M. A. Korotin, A. O. Anokhin, and G. Kotliar, J. Phys.: Condens. Matter 9, 7359 (1997).
- A. S. Belozerov, A. A. Katanin, and V. I. Anisimov, Phys. Rev. B 96, 075108 (2017).
Дополнительные файлы
