6533b82afe1ef96bd128c0a2

RESEARCH PRODUCT

Magnetic Exchange between Orbitally Degenerate Ions:  A New Development for the Effective Hamiltonian

Andrei V. PaliiJuan J. Borrás-almenarEugenio CoronadoJuan M. Clemente-juanBoris Tsukerblat

subject

Physicssymbols.namesakeQuantum mechanicsDegenerate energy levelssymbolsPhysical and Theoretical ChemistryKinetic energyAnisotropyHamiltonian (quantum mechanics)Transition metal ionsMagnetic exchangeIonElectronic states

description

A new approach to the problem of the kinetic exchange for orbitally degenerate ions is developed. The constituent multielectron metal ions are assumed to be octahedrally coordinated, and strong crystal field scheme is employed, making it possible to take full advantage from the symmetry properties of the fermionic operators and collective electronic states. In the framework of the microscopic approach, the highly anisotropic effective Hamiltonian of the kinetic exchange is constructed in terms of spin operators and standard orbital operators (matrices of the unit cubic irreducible tensors). As distinguished from previous considerations, the effective Hamiltonian is derived for a most general case of the multielectron transition metal ions possessing orbitally degenerate ground states and for arbitrary topology of the system. The overall symmetry of the system is introduced through the restricted set of the one-electron transfer integrals implied by the symmetry conditions. All parameters of the effective ...

https://doi.org/10.1021/jp971701u