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High-pressure struc...
High-pressure structural behavior of large-void CoSn-type intermetallics: Experiments and first-principles calculations
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- Mikhaylushkin, Arkady S (author)
- Uppsala universitet,Linköpings universitet,Teoretisk Fysik,Tekniska högskolan,Fysiska institutionen
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- Sato, Toyoto (author)
- Arizona State University
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- Carlson, Stefan (author)
- Lund University,Lunds universitet,MAX IV-laboratoriet,MAX IV Laboratory
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- Simak, Sergei I (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
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- Häussermann, Ulrich (author)
- Arizona State University
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(creator_code:org_t)
- Institutionen för fysik, kemi och biologi, 2008
- 2008
- English.
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In: Physical Review B. Condensed Matter and Materials Physics. - : Institutionen för fysik, kemi och biologi. - 1098-0121 .- 1550-235X. ; 77:1, s. 014102-
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Abstract
Subject headings
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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.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- ab initio calculations
- cobalt alloys
- decomposition
- high-pressure solid-state phase transformations
- indium alloys
- iron alloys
- nickel alloys
- polymorphic transformations
- stoichiometry
- tin alloys
- voids (solid)
- NATURAL SCIENCES
- NATURVETENSKAP
- Physics
Publication and Content Type
- ref (subject category)
- art (subject category)
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