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High-pressure struc...
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Mikhaylushkin, Arkady SUppsala universitet,Linköpings universitet,Teoretisk Fysik,Tekniska högskolan,Fysiska institutionen
(författare)
High-pressure structural behavior of large-void CoSn-type intermetallics: Experiments and first-principles calculations
- Artikel/kapitelEngelska2008
Förlag, utgivningsår, omfång ...
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Institutionen för fysik, kemi och biologi,2008
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electronicrdacarrier
Nummerbeteckningar
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LIBRIS-ID:oai:DiVA.org:liu-11168
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https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-11168URI
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https://doi.org/10.1103/PhysRevB.77.014102DOI
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https://lup.lub.lu.se/record/1198531URI
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https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-112442URI
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Språk:engelska
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Sammanfattning på:engelska
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Ämneskategori:art swepub-publicationtype
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Original publication: Mikhaylushkin, A.S., Sato, T., Carlson, S., Simak, S.I., and Häussermann, U., High-pressure structural behavior of large-void CoSn-type intermetallics: Experiments and first-principles calculations, 2008, Physical Review B, (77), 014102. http://dx.doi.org/10.1103/PhysRevB.77.014102. Copyright: American Physical Society, http://publish.aps.org/
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The high-pressure structural behavior of the binary intermetallic compounds CoSn, FeSn, and NiIn with the peculiar void containing CoSn (B35)-type structure has been studied by means of room-temperature diamond anvil cell and high-temperature multianvil experiments, as well as by first-principles calculations. All three compounds remain structurally stable at pressures up to at least 25 GPa, whereas first-principles calculations predict high-pressure structural changes below 20 GPa. A plausible explanation for the discrepancy is that at room temperature, a sizable activation barrier inhibits kinetically the transformation into more close-packed polymorphs. It is supported by our experiments at temperatures around 1000 °C and a pressure of 10 GPa. At these conditions, NiIn transforms into the temperature-quenchable stoichiometric CsCl-type high-pressure phase, which has been predicted in our first-principles calculations. However, CoSn and FeSn decompose into a mixture of compounds richer and poorer in tin, respectively. Nevertheless, it might be possible that lower temperatures and higher pressures may afford theoretically predicted polymorphs. In particular, a phase transformation to the FeSi-type structure predicted for CoSn is of interest as materials with the FeSi-type structure are known for unusual thermal and transport properties.
Ämnesord och genrebeteckningar
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NATURVETENSKAP Fysik hsv//swe
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NATURAL SCIENCES Physical Sciences hsv//eng
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ab initio calculations
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cobalt alloys
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decomposition
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high-pressure solid-state phase transformations
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indium alloys
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iron alloys
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nickel alloys
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polymorphic transformations
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stoichiometry
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tin alloys
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voids (solid)
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NATURAL SCIENCES
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NATURVETENSKAP
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Physics
Biuppslag (personer, institutioner, konferenser, titlar ...)
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Sato, ToyotoArizona State University
(författare)
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Carlson, StefanLund University,Lunds universitet,MAX IV-laboratoriet,MAX IV Laboratory(Swepub:lu)inor-sca
(författare)
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Simak, Sergei ILinköpings universitet,Teoretisk Fysik,Tekniska högskolan(Swepub:liu)sersi78
(författare)
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Häussermann, UlrichArizona State University
(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 Physics: Institutionen för fysik, kemi och biologi77:1, s. 014102-1098-01211550-235X
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