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Effect of thermal e...
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Alling, BjörnLinköpings universitet,Teoretisk Fysik,Tekniska högskolan
(författare)
Effect of thermal expansion, electronic excitations, and disorder on the Curie temperature of Ni1-xCuxMnSb alloys
- Artikel/kapitelEngelska2009
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Nummerbeteckningar
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LIBRIS-ID:oai:DiVA.org:kth-18408
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https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-18408URI
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https://doi.org/10.1103/PhysRevB.79.134417DOI
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https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-18546URI
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Språk:engelska
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Sammanfattning på:engelska
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Ämneskategori:ref swepub-contenttype
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Ämneskategori:art swepub-publicationtype
Anmärkningar
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QC 20100525
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Original Publication: Björn Alling, A V Ruban and Igor Abrikosov, Effect of thermal expansion, electronic excitations, and disorder on the Curie temperature of Ni1-xCuxMnSb alloys, 2009, PHYSICAL REVIEW B, (79), 13, 134417. http://dx.doi.org/10.1103/PhysRevB.79.134417 Copyright: American Physical Society http://www.aps.org/
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We demonstrate the importance of thermal effects such as temperature-induced electronic, magnetic and vibrational excitations, as well as structural defects in the first-principles calculations of the magnetic critical temperature of complex alloys using half-Heusler Ni1-xCuxMnSb alloys as a case study. The thermal lattice expansion and one-electron excitations have been accounted for self-consistently in the Curie temperature calculations. In the Ni-rich region, electronic excitations, thermal expansion, and structural defects substantially decrease the calculated Curie temperature. At the same time, some defects are shown to increase T-C in Cu-rich samples.
Ämnesord och genrebeteckningar
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ab initio calculations
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antimony alloys
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copper alloys
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Curie
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temperature
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defect states
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ferromagnetic materials
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manganese alloys
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nickel alloys
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thermal expansion
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half-metallic ferromagnets
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magnetic-properties
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nimnsb
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behavior
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NATURAL SCIENCES
Biuppslag (personer, institutioner, konferenser, titlar ...)
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Ruban, Andrei V.KTH,Tillämpad materialfysik,Royal Institute of Technology(Swepub:kth)u1uo08he
(författare)
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Abrikosov, IgorLinköpings universitet,Teoretisk Fysik,Tekniska högskolan(Swepub:liu)igoab43
(författare)
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Linköpings universitetTeoretisk Fysik
(creator_code:org_t)
Sammanhörande titlar
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Ingår i:Physical Review B. Condensed Matter and Materials Physics79:131098-01211550-235X
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