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.