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Orbit-lattice interaction contribution to superexchange in the V 2+ -F - -V 2+ linear system in cubic crystals

1975; IOP Publishing; Volume: 8; Issue: 23 Linguagem: Inglês

10.1088/0022-3719/8/23/008

1747-3802

Keshav N. Shrivastava,

Advanced Chemical Physics Studies

The configuration interaction method is applied to the exchange interaction. The orbit-lattice interaction is included in the one-electron Hamiltonian and, to second order in this Hamiltonian, a contribution is obtained which is antiferromagnetic in the V2+-F--V2+ linear pair in KMgF3. The zero-point vibrational contribution to the superexchange is discussed as well as the temperature-dependent contribution.