Abstract

We performed energy-band calculations for the L10 pseudobinary bulk alloy FePt1−xMx(M=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 ratio c/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: a change in magnetic state (FM-AFM) occurs around FePt1−xMx. It is pointed out that the magnetic state change also depends on the number of valence electrons.

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