Friday 25 November 2011

TM oxides by ab initio DFT calculations

Magnon spectrum of transition-metal oxides: Calculations including long-range magnetic interactions using the LSDA + U method.
F. Essenberger, S. Sharma, J. K. Dewhurst, C. Bersier, F. Cricchio, L. Nordström, and E. K. U. Gross
Phys. Rev. B 84, 174425 (2011)
N´eel temperatures as a function of U for NiO, CoO, and MnO. The dashed lines denote the experimental values and the gray solid lines are Monte Carlo simulations.

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