Electron correlation e ects in paramagnetic cobalt

封面

如何引用文章

全文:

开放存取 开放存取
受限制的访问 ##reader.subscriptionAccessGranted##
受限制的访问 订阅存取

详细

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.

作者简介

A. Belozerov

University of Hamburg

Email: letters@kapitza.ras.ru

V. Anisimov

M. N. Mikheev Institute of Metal Physics, Russian Academy of Sciences; Ural Federal University

编辑信件的主要联系方式.
Email: letters@kapitza.ras.ru

参考

  1. E. G. Moroni, G. Kresse, J. Hafner, and J. Furthmu¨ller, Phys. Rev. B 56, 15629 (1997).
  2. T. C. Leung, C. T. Chan, and B. N. Harmon, Phys. Rev. B 44, 2923 (1991).
  3. M. K¨orling and J. H¨aglund, Phys. Rev. B 45, 13293 (1992).
  4. J.-H. Cho and M. Sche er, Phys. Rev. B 53, 10685 (1996).
  5. S. F. Matar, A. Houari, and M. A. Belkhir, Phys. Rev. B 75, 245109 (2007).
  6. 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).
  7. 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).
  8. P. A. Igoshev, A. V. Efremov, A. I. Poteryaev, A. A. Katanin, and V. I. Anisimov, Phys. Rev. B 88, 155120 (2013).
  9. A. S. Belozerov, A. A. Katanin, and V. I. Anisimov, J.Phys.: Condens. Matter 33, 385601 (2021).
  10. 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).
  11. A. S. Belozerov, A. A. Katanin, and V. I. Anisimov, Phys. Rev. B 107, 035116 (2023).
  12. A. Georges, G. Kotliar, W. Krauth, and M. J. Rozenberg, Rev. Mod. Phys. 68, 13 (1996).
  13. V. I. Anisimov, A. I. Poteryaev, M. A. Korotin, A. O. Anokhin, and G. Kotliar, J. Phys.: Condens. Matter 9, 7359 (1997).
  14. A. S. Belozerov, A. A. Katanin, and V. I. Anisimov, Phys. Rev. B 96, 075108 (2017).

补充文件

附件文件
动作
1. JATS XML
下载

版权所有 © Российская академия наук, 2023