Abstract
A molecular dynamics (MD) theory of itinerant electron magnetism which has recently been proposed to describe the complex magnetic structures is reviewed. The isothermal MD approach based on the functional integral method is shown to predict automatically the complex magnetic structure with a few hundred atoms in a unit cell at finite ternperatures. It is demonstrated by the numerical calculations for bcc Fe that the MD approach describes the second order phase transition as a function of temperature because of a selfconsistent effective medium in the theory. The numerical results of the MD calculations for the fcc transition metals with use of 108 atoms and 256 atoms show the existence of various complex magnetic structures for the d electron numbers between 6.0 and 7.0, and the strong spin frustrations for γ-Fe. The theory is extended to the magnetic alloys and is found to explain the basic feature of γ-FeMn alloys.
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Kakehashi, Y., Akbar, S., Kimura, N. (1998). Molecular Dynamics Approach to Complex Magnetic Structures in Itinerant-Electron Systems. In: Wagner, D., Brauneck, W., Solontsov, A. (eds) Itinerant Electron Magnetism: Fluctuation Effects. NATO Science Series, vol 55. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-5080-4_11
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