複雑なスピン構造もつ遍歴電子磁性体の理論

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This paper reviews a molecular dynamics (MD) theory of itinerant electron magnetism that recently been preposed as a means of describing complex magnetic structures. The isothermal MD approach based on the functional integral method is shown to be capable of predicting automatically a complex magnetic structure with a few hundred atoms in a unit cell at finite temperatures. It is demonstrated by numerical calculations for bcc Fe that the MD approach descrides the second-order phase transition as a function of temperature because of a selfconsistent effective medium in the trheory. The numerical results of MD calculations for fcc transition metals using 108 atoms and 256 atoms show the existence of various complex magnetic structures for d electron numbers between 6.0 and 7.0, and strong spin frustrations for γ-Fe. The theory is extended to magnetic alloys and is found to explain the basic features of γ-FeMn alloys.
社団法人日本磁気学会の論文
1998-06-01