TOWARD A THEORY OF THE ROOM-TEMPERATURE ORGANOMETALLIC CHARGE-TRANSFER FERROMAGNETстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:We propose a hypothetical spatial arrangement of the components and a model for electronic structure of the room-temperature organometallic ferromagnet V(TCNE)(x).yCH2Cl2 (TCNE = tetracyanoethylene). The ferrimagnetic ground state arises because of weak electron hopping between the d orbital of V2+ ions and singly occupied orbitals of TCNE.-. For the ground state this interaction is treated by means of a variational unrestricted Hartree-Fock method. We describe the excited states of the ferrimagnetic crystal by an effective spin Hamiltonian which arises within the perturbational approach to the intersite hopping. The chemical bonding in the new class of organometallic magnetic materials is discussed briefly.