| Effect of pressure on itinerant magnetism and spin disorder in cubic FeGe. | |
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MedLine Citation:
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PMID: 22317917 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
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The results of ab initio calculations of the pressure dependence of Fe magnetism in cubic FeGe are presented. We find that when the pressure-volume scale is set by means of generalized gradient approximation total energies and magnetism is described by means of the local density approximation, the critical pressure at which the magnetic phase transition occurs is estimated at ≈18 GPa, which is in good agreement with experiments. Using the disordered local moment method we find a localized to itinerant model cross-over of Fe magnetism in cubic FeGe, as a function of volume. Moreover, our calculations also suggest subtle signatures of longitudinal spin fluctuations in cubic FeGe, and that the stiffness parameter softens with increasing pressure. We associate the retention of metallicity in FeGe under pressure with the spin-disorder scattering. The effect of spin-orbit coupling on the electronic structure is also discussed. |
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Authors:
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J J Pulikkotil; S Auluck; P K Rout; R C Budhani |
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Publication Detail:
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Type: JOURNAL ARTICLE Date: 2012-2-09 |
Journal Detail:
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Title: Journal of physics. Condensed matter : an Institute of Physics journal Volume: 24 ISSN: 1361-648X ISO Abbreviation: - Publication Date: 2012 Feb |
Date Detail:
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Created Date: 2012-2-9 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 101165248 Medline TA: J Phys Condens Matter Country: - |
Other Details:
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Languages: ENG Pagination: 096003 Citation Subset: - |
Affiliation:
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National Physical Laboratory, Dr K S Krishnan Marg, New Delhi 110012, India. |
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