Orbitally dependent magnetic coupling between cobalt(II) ions: The problem of the magnetic anisotropy

Andrei V. Palii, Boris S. Tsukerblat, Eugenio Coronado, Juan M. Clemente-Juan, Juan J. Borrás-Almenar

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The microscopic approach to the problem of the exchange interaction between cobalt(II) ions was developed. The kinetic exchange Hamiltonian for corner shared bioctahedral Co(II) of D4h symmetry was deduced, taking into account the relevant hopping integrals of σ- and π-types. By using the developed approach, it was possible to build the microscopic theory of the effective pseudo-spin-1/2 Hamiltonian acting in the space of the ground Kramers doublets of the interacting ions.

Original languageEnglish
Pages (from-to)5566-5581
Number of pages16
JournalJournal of Chemical Physics
Issue number12
StatePublished - 22 Mar 2003

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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