Magnetism of Gadolinium: A First-Principles Perspective
- Author(s)
- L. Oroszlany, A. Deak, E. Simon, S. Khmelevskyi, L. Szunyogh
- Abstract
By calculating the spectral density of states in the ferromagnetic ground state and in the high temperature paramagnetic phase we provide the first concise study of finite temperature effects on the electronic structure of the bulk and the surface of gadolinium metal. The variation of calculated spectral properties of the Fermi surface and the density of states in the bulk and at the surface are in good agreement with recent photoemission experiments performed in both ferromagnetic and paramagnetic phases. In the paramagnetic state we find vanishing spin splitting of the conduction band, but finite local spin moments both in bulk and at the surface. We clearly demonstrate that the formation of these local spin moments in the conduction band is due to the asymmetry of the density of states in the two spin channels, suggesting a complex, non-Stoner behavior. We, therefore, suggest that the vanishing or nearly vanishing spin splitting of spectral features cannot be used as an indicator for Stoner-like magnetism.
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Budapest University of Technology and Economics, Eötvös Loránd University Budapest
- Journal
- Physical Review Letters
- Volume
- 115
- No. of pages
- 5
- ISSN
- 0031-9007
- DOI
- https://doi.org/10.1103/PhysRevLett.115.096402
- Publication date
- 08-2015
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103025 Quantum mechanics, 103036 Theoretical physics, 103015 Condensed matter, 103009 Solid state physics
- Keywords
- ASJC Scopus subject areas
- General Physics and Astronomy
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/1894cce1-139f-4f7c-91e3-7545e7a213ca