期刊
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
卷 323, 期 17, 页码 2323-2327出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.jmmm.2011.04.015
关键词
Heusler alloy; Half-metal; Magnetic property; Electronic structure
资金
- National Natural Science Foundation of China [50901028, 50971130]
Quaternary Heusler alloys Fe1.5M0.5CoSi with M=V, Cr, Mn and Fe have been investigated theoretically and experimentally. All of these samples crystallize in the ordered Heusler-type structure. The calculated electronic structure shows a pseudogap around E-F in the minority spin states of Fe2CoSi. With the substitution of low-valent atoms for Fe, the majority antibonding peak is shifted to higher energy and a minority gap around the Fermi level is opened. High spin polarization ratio is obtained in Fe1.5M0.5CoSi (M=V, Cr, Mn) alloys. The calculated total spin moments decrease with decreasing number of valence electrons and follow the Slater-Pauling curve, which agree with the experimental results well. The Curie temperature decreases as M atom varies from Fe to V, but is always higher than 650 K, which is suitable for technical applications. (C) 2011 Elsevier B.V. All rights reserved.
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