Theoretical prediction of ferrimagnetism in face-centered cubic iron

The magnetic structure of fcc Fe has been investigated in a range of lattice constants from a = 3.50 to 3.75 Å by the first-principles all-electron linearized augmented plane wave method in the local spin-density functional approximation. Besides the previously reported antiferromagnetic phase, one...

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Bibliographic Details
Published in:Journal of magnetism and magnetic materials 1995-03, Vol.145 (3), p.L273-L277
Main Authors: Zhou, Yu-mei, Zhang, Wen-qing, Zhong, Lie-ping, Wang, Ding-sheng
Format: Article
Language:English
Subjects:
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Exact sciences and technology
Fe and its alloys
Magnetic properties and materials
Physics
Studies of specific magnetic materials
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Summary:The magnetic structure of fcc Fe has been investigated in a range of lattice constants from a = 3.50 to 3.75 Å by the first-principles all-electron linearized augmented plane wave method in the local spin-density functional approximation. Besides the previously reported antiferromagnetic phase, one high-spin and two low-spin ferromagnetic phases, a ferrimagnetic phase is predicted to coexist in the range of a = 3.59 to 3.67 Å.
ISSN:0304-8853
DOI:10.1016/0304-8853(95)00002-X