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Superexchange interaction, effect

First-order Phase Transition in U02 The Interplay of the 5f2-5f2 Superexchange Interaction and Jahn-Teller Effect... [Pg.599]

The aim of this work is to elucidate these problems. To this end, we calculate the effective spin Hamiltonian of the 5f2—5f2 superexchange interaction between the neighboring U4+ ions in the cubic crystal lattice of UO2 and we calculate T5 <%> eg, rs f2g(l) ancl r5 f2g(2) linear vibronic coupling constants. These data are then used to draw a more definite conclusion about the driving force of the phase transition and especially about the actual mechanism of the spin and orbital ordering in U02. [Pg.602]

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