Evidence of Kinetic Energy Driven Antiferromagnetism in Double Perovskites: A First-principles Study
Sanyal, Prabuddha · Das, Hena · Saha-Dasgupta, T.
Original · EN
Using first principles density functional calculations, together with exact diagonalization of Fe-Mo Hamiltonian constructed in a first principles Wannier function basis, we studied the electronic structure of La doped double perovskite compound Sr₂FeMoO₆. Our calculation show stabilization of kinetic energy driven antiferromagnetic phase for La rich compounds, in agreement with the results obtained on the basis of previous model calculations.
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