Structure and magnetism of 3d and 4d transition-metal alloys TT′ (T = Mn, Fe and T′ = Rh, Pd) with CuAu-I type ordered structure

被引：0

作者：

Yamada, H. ^{[1
]}

Shimizu, H. ^{[1
]}

Yamamoto, K. ^{[1
]}

Uebayashi, K. ^{[1
]}

机构：

[1] Faculty of Science, Shinshu University, Asahi 3-1-1, Matsumoto, 390-8621, Japan

来源：

Journal of Alloys and Compounds | 2006年 / 415卷 / 1-2期

关键词：

First-principle band calculations of 3d and 4d transition-metal alloys FeRh; FePd; MnRh and MnPd with CuAu-I type ordered structure are carried out by a linear muffin-tin orbital method within an atomic sphere approximation; where a generalized gradient correction for exchange-correlation potential is taken into account. Total energies for paramagnetic; ferromagnetic and three kinds of antiferromagnetic states are estimated as a function of lattice constants a and c. Observed lattice constants and spin structures of these alloys are well described by the present calculations. It is shown that the paramagnetic (non-magnetic) state without local magnetic moments is not stable in CsCl-type structure for these alloys. © 2005 Elsevier B.V. All rights reserved;

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摘要：

Journal article (JA)

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页码：31 / 37