2006年5月
Structure and magnetism of 3d and 4d transition-metal alloys TT ' (T = Mn, Fe and T '= Rh, Pd) with CuAu-I type ordered structure
JOURNAL OF ALLOYS AND COMPOUNDS
- ,
- ,
- ,
- 巻
- 415
- 号
- 1-2
- 開始ページ
- 31
- 終了ページ
- 37
- 記述言語
- 英語
- 掲載種別
- DOI
- 10.1016/j.jallcom.2005.07.046
- 出版者・発行元
- ELSEVIER SCIENCE SA
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. (c) 2005 Elsevier B.V. All rights reserved.
- リンク情報
- ID情報
-
- DOI : 10.1016/j.jallcom.2005.07.046
- ISSN : 0925-8388
- Web of Science ID : WOS:000237750200008