Electronic structure and magnetism of Fe1xPdx alloys

Y. S. Shi, D. Qian, G. S. Dong, X. F. Jin, and Ding-Sheng Wang
Phys. Rev. B 65, 172410 – Published 25 April 2002
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Abstract

An ab initio linearized augmented plane-wave method has been employed to calculate the electronic and magnetic structures of both face-centered-cubic and body-centered-cubic Fe1xPdx alloys with x=0.25, 0.50, and 0.75, respectively. Decreasing the Pd content in Fe1xPdx alloy from x=1, the magnetic ordering of fcc Fe1xPdx changes from paramagnetism to ferromagnetism, ferrimagnetism, and finally to antiferromagnetism. However, the magnetism of bcc Fe1xPdx changes simply from paramagnetism to ferromagnetism.

  • Received 31 January 2002

DOI:https://doi.org/10.1103/PhysRevB.65.172410

©2002 American Physical Society

Authors & Affiliations

Y. S. Shi

  • Surface Physics Laboratory, Fudan University, Shanghai 200433, China
  • Physics Department, Yancheng Teacher’s College, Yancheng, Jianghu 224002, China

D. Qian and G. S. Dong

  • Surface Physics Laboratory, Fudan University, Shanghai 200433, China

X. F. Jin*

  • Surface Physics Laboratory, Fudan University, Shanghai 200433, China
  • International Center for Quantum Structures, CAS, Beijing 100080, China

Ding-Sheng Wang

  • Institute of Physics, Chinese Academy of Sciences, Beijing 100080, China

  • *Author to whom correspondence should be addressed. FAX: 86-21-65104949 Electronic address: xfjin@fudan.ac.cn

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Vol. 65, Iss. 17 — 1 May 2002

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