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Cr₂Te₃에서 쿨롱 상관효과의 크기와 자기모멘트 크기의 계산
윤석주(Suk Joo Youn),권세균(Se Kyun Kwon) 한국자기학회 2006 韓國磁氣學會誌 Vol.16 No.2
Electronic and magnetic structure of Cr₂Te₃ 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 Crd 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.