Ferromagnetic and Antiferromagnetic States of Mn in Y(Co, Mn)_2 : Condensed Matter: Electronic Properties, etc.

概要

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Electronic structures of Y_2CO_3Mn and Y_2CO_2Mn_2 with cubic Laves phase structure are calculated by a self-consistent linear muffin-tin orbital method within the atomic sphere approximation, by assuming ordered structures. It is shown by the numerical calculations that both solutions of the ferromagnetic and antiferromagnetic states exist in Y_2CO_2Mn_2, while only the ferromagnetic solution is obtained in Y_2CO_3Mn. The total energy for Y_2CO_2Mn_2 In the antiferromagnetic state is a little lower than that in the ferromagnetic state. These results are consistent with the observed concentration dependence of the bulk magnetic moment in Y(Co, Mn)_2 and also with the observed results for Gd(Co, Mn)_2. Moreover, the theoretical lattice constant for Y_2CO_3Mn_2 in the antiferromagnetic state is considerably larger than that in the paramagnetic state, which suggests the possibility of antiferromagnetic Invar effect.
社団法人日本物理学会の論文
2000-10-15