"The Bethe-Slater curve revisited; new insights from electronic structure theory"

Link:
Autor/in:
Erscheinungsjahr:
2017
Medientyp:
Text
Schlagworte:
  • Spin waves
  • Magnons
  • Magnetic moments
  • Magnetic Anisotropy
  • Magnetization
  • Magnetism
  • Spin waves
  • Magnons
  • Magnetic moments
  • Magnetic Anisotropy
  • Magnetization
  • Magnetism
Beschreibung:
  • The Bethe-Slater (BS) curve describes the relation between the exchange coupling and interatomic distance. Based on a simple argument of orbital overlaps, it successfully predicts the transition from antiferromagnetism to ferromagnetism, when traversing the 3d series. In a previous article {[}Phys. Rev. Lett. 116, 217202 (2016)] we reported that the dominant nearestneighbour (NN) interaction for 3d metals in the bcc structure indeed follows the BS curve, but the trends through the series showed a richer underlying physics than was initially assumed. The orbital decomposition of the inter-site exchange couplings revealed that various orbitals contribute to the exchange interactions in a highly non-trivial and sometimes competitive way. In this communication we perform a deeper analysis by comparing 3d metals in the bcc and fcc structures. We find that there is no coupling between the E-g orbitals of one atom and T-2g orbitals of its NNs, for both cubic phases. We demonstrate that these couplings are forbidden by symmetry and formulate a general rule allowing to predict when a similar situation is going to happen. In gamma-Fe, as in alpha-Fe, we find a strong competition in the symmetry-resolved orbital contributions and analyse the differences between the high-spin and low-spin solutions.
Lizenz:
  • info:eu-repo/semantics/restrictedAccess
Quellsystem:
Forschungsinformationssystem der UHH

Interne Metadaten
Quelldatensatz
oai:www.edit.fis.uni-hamburg.de:publications/aa5f7751-5fbc-42d6-9d93-279e5e5c58ac