Structure and magnetism of pseudobinary L 1 0 alloy FePtM ( M = Ir , Au )
.Kazuhiko Uebayashia
Divisions of Physics, Akita
National College of Technology, Akita 011-8511, Japan
Presented 19 January 2010; received 3 November 2009; accepted 3 March 2010;published online 21 April 2010
Abstract
We performed energy-band calculations for the L10 pseudobinary bulk alloy FePt1−xMxM=Ir,Au by using the linear muffin-tin orbital method with atomic sphere approximations. The exchange-correlation potential was treated within the generalized gradient approximation. The total energies for the ferromagnetic FM and three kinds of antiferromagnetic AFM states were estimated as a function of lattice ratioc/a. For 5d atom substitution, we adopted a virtual crystal approximation. On the basis of the minimum of the total energy, we present the following result: achange in magnetic state FM-AFM occurs around FePt1−xMx. It is pointed out that the magneticstate change also depends on the number of valence electrons.
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