Type-II Antiferromagnetism in Compounds of Iron with 4d Metals

Previous first-principles calculations on the magnetic phases of nine FeX and Fe2-XY compounds in the CsCl structure, where X and Y are 4d elements from Tc to Ag, are extended to include type-II as well as type-I antiferromagnetism. The antiferromagnetism of FeRh and Fe2RuRh is greatly enhanced in the type-II phase and FeRu in the type-II phase becomes the fifth such compound with an antiferromagnetic ground state. However in the weaker antiferromagnetis FePd and Fe2RhPd the equilibrium state of the type-II phase has a higher energy than the type-I phase.

By: P.M. Marcus, V.L. Moruzzi and S.L. Qiu (Florida Atlantic Univ.)

Published in: Physical Review B, volume 54, (no 17), pages 1933-5 in 1996

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