Abstract

Electronic and magnetic structure of have been studied, which is a material with complex magnetic structure. Density of states and magnetic moments show better agreement with experiments than LDA if they are obtained with the correlation effect of Cr-d electrons taken into account by the LDA+U method. In these calculations, the magnitude of the correlation effect is found to be 1.7 eV. It is shown that the magnitude of experimental magnetic moments of Cr atoms can be explained if the ferromagnetic states and the ferrimagnetic states have the same energy to be degenerate.

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