Magnetic phase stability and spin-dependent transport in CeNi4M (M=Sc, Ti, V, Cr, Mn, Fe, and Co): First-principles study
IR@CECRI: CSIR-Central Electrochemical Research Institute, Karaikudi
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| Title |
Magnetic phase stability and spin-dependent transport in CeNi4M (M=Sc, Ti, V, Cr, Mn, Fe, and Co): First-principles study
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| Creator |
Murugan, P.
Bahramy, M.S. Kawazoe, Y. |
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| Subject |
Electrochemical Materials Science
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| Description |
of a set of intermetallic compounds CeNi4M �M=Sc-Co� are investigated. All the compounds are
considered to be in the orthorhombic phase, in which a transition metal atom M substitutes for one of the Ni
atoms in the parent hexagonal CeNi5 structure. The optimized lattice constants are shown to be in good
agreement with the corresponding experimental data. The volume of CeNi4M turns out to decrease with
changing the M component from Sc to Co. Our calculations reveal that the ferromagnetic state is energetically
more favorable for the compounds with M=Sc, Mn, Fe, and Co, while for CeNi4Cr, the structure is found to
be antiferromagnetic. Except for CeNi4Sc, the magnetism in these compounds originates mainly from M
atoms. The ferromagnetic coupling is mediated through the indirect d-d and d-f exchange interactions. The
spin-dependent transport calculations show that the spin polarization in the diffusive regime is significantly
higher than that in the ballistic one for these intermetallic compounds
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| Publisher |
The American Physical Society
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| Date |
2008
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| Type |
Article
PeerReviewed |
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| Format |
application/pdf
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| Identifier |
http://cecri.csircentral.net/450/1/151-2008.pdf
Murugan, P. and Bahramy, M.S. and Kawazoe, Y. (2008) Magnetic phase stability and spin-dependent transport in CeNi4M (M=Sc, Ti, V, Cr, Mn, Fe, and Co): First-principles study. Physical Review B, 77 (6). ISSN 1098-0121 |
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| Relation |
http://cecri.csircentral.net/450/
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