Theoretical study of the structure and magnetism of Fe1-xPdx alloys

An ab initio linearized augmented plane wave (LAPW) method has been employed to calculate the electronic and magnetic structures for the fcc and bcc Fe1-xPdx alloys with x=000, 025, 050, 075, and 100, respectively. By decreasing the Pd content, the magnetism of fcc Fe1-xPdx alloys changes from paramagnetism to ferromagnetism, ferrimagnetism, and finally antiferromagnetism or ferromagnetism. On the other hand, the magnetism of bcc Fe1-xPdx alloys changes from paramagnetism to ferromagnetism. Our calculations are in good agreement with previous experimental results. And we predict that the Fe075Pd025 alloys are ferrimagnetism.