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• W2155606736 abstract "Based on density functional theory, the dynamic stability, electronic structure, and magnetic properties of a LiNbO3 -type double perovskite (A2BB′O6), Zn2 FeTaO6, have been studied. Results show that the experimental structure is dynamic stabilized with a spontaneous polarization of 57C cm−2 along the c-axis. By using GGA+U method, the system is predicted to be a charge transfer type insulator with 4.3 magnetic moment on Fe ion. The easy axis is in the ab-plane. Calculations on exchange integrals indicate that the magnetic coupling between Fe ions of the Fe–O–Ta–O–Fe bridge is very weak. However, the AFM coupling of the Fe–O–Fe bridge is much stronger, which suggests a potential way to design magnetoelectric materials in ferrimagnetic phase with 3d and 5d ions at B- and -site in the LiNbO3 double perovskite system." @default.
• W2155606736 created "2016-06-24" @default.
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• W2155606736 date "2015-08-03" @default.
• W2155606736 modified "2023-09-27" @default.
• W2155606736 title "Electronic structure and magnetic properties of an iron- and tantalum-based double perovskite" @default.
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• W2155606736 doi "https://doi.org/10.1002/pssb.201552368" @default.
• W2155606736 hasPublicationYear "2015" @default.
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