Evidence of Kinetic Energy Driven Antiferromagnetism in Double Perovskites : A First-principles Study

Abstract

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 Sr${}_2$FeMoO${}_6$. 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.

11 figures. accepted for publication in Phys. Rev. B

References in corpus (10)

• Structural and doping effects in the half-metallic double perovskite $A_2$CrWO${}_6$
• Strong ferromangnetism and weak antiferroamgnetism in double perovskites: Sr${}_2$Fe{/it M}O${}_6$ ({/it M}=Mo, W and Re)
• A new class of magnetic materials: Sr2FeMoO6 and related compounds
• Electronic Structure, Phonons and Dielectric Anomaly in Ferromagnetic Insulating Double Perovskite La2NiMnO6
• Electronic structure of half-metallic double perovskites
• Effect of band-filling and structural distortions on the Curie temperature of Fe-Mo double perovkites
• Phase diagram and influence of defects in the double perovskites
• Mean field theory for double-perovskites
• A Magnetic Model for the Ordered Double Perovskites
• Origin of Ferromagnetism and its pressure and doping dependence in Tl${}_2$Mn${}_2$O${}_7$

Cited by in corpus (7)

• Origin of Magnetism and trend in $T_c$ in Cr-based double perovskites: Interplay of two driving mechanisms
• Magnetism in Sr${}_2$CrMoO${}_6$: A combined abinitio and model study
• Signature of an antiferromagnetic metallic ground state in heavily electron doped Sr2FeMoO6
• Understanding ferromagnetism in Cr-based 3d-5d double perovskites
• Odd-Parity Spin-Triplet Superconductivity in Centrosymmetric Antiferromagnetic Metals
• Understanding the Curious Magnetic State of Sr${}_3$OsO${}_6$
• Non-collinear Magnetic Order in the Double Perovskites: Double Exchange on a Geometrically Frustrated Lattice