Article,

A couple method for calculating interatomic interactions in itinerant electron magnetic systems

, and .
Journal of Physics F: Metal Physics, 14 (12): 3041--3052 (1984)

Abstract

A new, improved method of calculating the vector exchange field in an itinerant electron magnet, which may vary in both magnitude and direction from atom to atom, is presented. This involves the use of the couple acting on the magnetic moments on the atoms in their surrounding exchange field. By studying the way in which the moments align with the field at each atomic site, the exchange field may be mapped out. Thus the method may be used to calculate the magnetic couplings between individual atomic moments in the system in some arbitrary magnetic configuration with any desired set of directions and magnitudes of exchange splitting. In this way it is possible, for instance, to model a disordered state above the Curie temperature. The authors how that their formula for the couple can be derived either from the equation of motion for the spin or from the total energy expression, and their present results obtained using the method for BCC ferromagnetic iron.

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