Magnetism of Gadolinium: A First-Principles Perspective

Autor(en)

L. Oroszlany, A. Deak, E. Simon, S. Khmelevskyi, L. Szunyogh

Abstrakt

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(en)

Computergestützte Materialphysik

Externe Organisation(en)

Budapest University of Technology and Economics, Eötvös Loránd University Budapest

Journal

Physical Review Letters

Band

115

Anzahl der Seiten

5

ISSN

0031-9007

DOI

https://doi.org/10.1103/PhysRevLett.115.096402

Publikationsdatum

08-2015

Peer-reviewed

Ja

ÖFOS 2012

103025 Quantenmechanik, 103036 Theoretische Physik, 103015 Kondensierte Materie, 103009 Festkörperphysik

Schlagwörter

ASJC Scopus Sachgebiete

Allgemeine Physik und Astronomie

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/1894cce1-139f-4f7c-91e3-7545e7a213ca