Theoretical study of the structure and magnetism of Fe1-xPdx alloys
Fe1-xPdx合金电子结构和磁性的理论研究

An ab initio linearized augmented plane wave (LAPW) method has been employed to calculate the electronic and magnetic structures for the fcc and bcc Fe 1- x Pd x alloys with x =0 00, 0 25, 0 50, 0 75, and 1 00, respectively. By decreasing the Pd content, the magnetism of fcc Fe 1- x Pd x alloys changes from paramagnetism to ferromagnetism, ferrimagnetism, and finally antiferromagnetism or ferromagnetism. On the other hand, the magnetism of bcc Fe 1- x Pd x alloys changes from paramagnetism to ferromagnetism. Our calculations are in good agreement with previous experimental results. And we predict that the Fe 0 75 Pd 0 25 alloys are ferrimagnetism.