High Spin Polarizaion of Ferrimagnetic Heusler-type Alloys in Mn-Cr-Z System (Z = IIIb, IVb, Vb Elements)

First-principle total-energy calculations show that a ferrimagnetic state is most stable in Mn2YZ (Y = Cr and Mn) with the Heusler structure and that among them there are highly spin-polarized ones with magnetic moments of 0, 1, and 2μB per formula unit. Electronic structures of nonstoichiometric al...

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Bibliographic Details
Published in:Journal of the Physical Society of Japan 2008-07, Vol.77 (7), p.74702
Main Authors: FUJII, Shinpei, OKADA, Mitsuo, ISHIDA, Shoji, ASANO, Setsuro
Format: Article
Language:English
Subjects:
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Electron density of states and band structure of crystalline solids
Electron states
Exact sciences and technology
Ferrimagnetics
Magnetic properties and materials
Methods of electronic structure calculations
Other metals and alloys
Physics
Studies of specific magnetic materials
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Summary:First-principle total-energy calculations show that a ferrimagnetic state is most stable in Mn2YZ (Y = Cr and Mn) with the Heusler structure and that among them there are highly spin-polarized ones with magnetic moments of 0, 1, and 2μB per formula unit. Electronic structures of nonstoichiometric alloys suggest that partial replacement of constituent atoms in the highly spin-polarized alloys can be made without a decrease in spin polarizaion. Our results predict that in Mn-Cr-Z alloys we may get highly spin-polarized alloys with magnetic moments per formula unit ranging from -0.8 to 2μB.
ISSN:0031-9015
1347-4073
DOI:10.1143/jpsj.77.074702