Magnetic coupling between nonmagnetic ions: Eu3+ in EuN and EuP

نویسندگان

  • M. D. Johannes
  • W. E. Pickett
چکیده

We consider the electronic structure of, and magnetic exchange spin interactions between, nominally nonmagnetic Eu3+ ions 4f6, S=3, L=3, J=0 within the context of the rocksalt structure compounds EuN and EuP. Both compounds are ionic Eu3+; N3− and P3− semimetals similar to isovalent GdN. Treating the spin polarization within the 4f shell, and then averaging consistent with the J=0 configuration, we estimate semimetallic band overlaps Eu 5d with pnictide 2p or 3p of 0.1 eV EuN and 1.0 eV EuP that increase become more metallic with pressure. The calculated bulk modulus is 130 86 GPa for EuN EuP . Exchange spin-spin coupling calculated from correlated band theory is small and ferromagnetic in sign for EuN, increasing in magnitude with pressure. Conversely, the exchange coupling is antiferromagnetic in sign for EuP

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تاریخ انتشار 2005