Ab initio calculation of Heisenberg parameters in thin magnetic films

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Abstract

We present first principles calculations of the Heisenberg exchange parameters (Jij) in thin films on top of a disordered local moment description of the paramagnetic state and also from the magnetically ordered ground state. For Co and Ni films on a Cu(001) substrate ferromagnetic nearest-neighbour (NN) and next-nearest-neighbour (NNN) interactions play throughout a dominating role. Furthermore, Jij’s display significant dependence on the layer positions, giving a typical maximum for layers near the surface of the film as well as the interface with the substrate. As presented for the case of the Fe5/Cu(001) overlayer system, the long-ranged behaviour of the exchange pair interactions has to be ultimately taken into account in order to recover the antiferro-magnetic ground states of thin Fe films on Cu(001) obtained by total energy calculations. Theoretical Curie temperatures (TC) calculated within a simple statistical mean-field approach follow qualitatively well the trends against the film thickness observed in the experiments.

Original languageEnglish
Pages (from-to)617-622
Number of pages6
JournalPhilosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties
Volume78
Issue number5-6
DOIs
Publication statusPublished - Jan 1 1998

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Physics and Astronomy(all)

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