Abstract

The band structure and total energy of the metamagnetic ordered alloy FeRh were calculated by the self-consistent spin-polarized linear muffin-tin orbital method in the atomic sphere approximation (LMTO-ASA). The total energy and magnetic moments were found as functions of volume in the antiferromagnetic and ferromagnetic states. The Fermi surface was found at ambient and high pressures. Based on the band structure the free energy of the system was calculated for finite temperatures to obtain the phase diagram in the (T,p) plane.

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