The Effect of Exchange on the Theory of the Order-Disorder and the Insulator-Metal Transitions in Magnetite, Fe3O4.
NAVAL SURFACE WEAPONS CENTER WHITE OAK LAB SILVER SPRING MD
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Using a Hartree-Fock decoupled Hamiltonian, electronic energy bands for magnetite, Fe3O4 have been determined at temperatures in the neighborhood of the Verwey transition temperature. The cluster-variation method has been applied to determine the parameters appearing in the Hartree-Fock Hamiltonian. It was observed that the insulator-metal transition takes place at a temperature where the Verwey order is still finite although it is quite small. As long as the Verwey transition persists as a second order transition the theory here predicts two different distinct transition temperatures, one for the insulator-metal transition and the other for the order-disorder transition.
- Solid State Physics