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- Simak, Sergey,1967-Linköpings universitet,Tekniska högskolan,Teoretisk Fysik (author)
The role of orthorhombic distortions in gallium under high hydrostatic pressure
- Article/chapterEnglish2006
Publisher, publication year, extent ...
- Elsevier BV,2006
- printrdacarrier
Numbers
- LIBRIS-ID:oai:DiVA.org:kth-16038
- https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-16038URI
- https://doi.org/10.1016/j.jpcs.2006.05.016DOI
- https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-36998URI
Supplementary language notes
- Language:English
- Summary in:English
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- SwePubSwePub
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- QC 20100525 QC 20110927. Conference: Conference on Study of Matter at Extreme Conditions (SMEC2005). Miami Beach, FL. APR 17-21, 2005
- We have performed a detailed analysis ofthedouble-well feature ofthetotal energy fortheGa-III phase as a function of tetragonal andorthorhombicdistortionsoftheface-centered cubic (fcc) lattice. We demonstrate that inthelow-pressureregion this double-well feature disappears and only one minimum exists. In order to reveal this result,thepossibility oforthorhombicdistortionshas to be taken into account. At elevatedpressurebetween 58 and 84 GPa,thesecond minimum becomes pronounced, but never develops into a separate local minimum up tothetransformation intothefcc phase.
Subject headings and genre
- TEKNIK OCH TEKNOLOGIER Materialteknik hsv//swe
- ENGINEERING AND TECHNOLOGY Materials Engineering hsv//eng
- phase transition
- augmented-wave method
- crystal-structure
- indium
- ga
- elements
- transition
- metals
- gpa
- NATURAL SCIENCES
Added entries (persons, corporate bodies, meetings, titles ...)
- Simak, S. I. (author)
- Johansson, BörjeKTH,Tillämpad materialfysik,Royal Institute of Technology(Swepub:kth)u13m8u34 (author)
- Haussermann, U.Stockholm University (author)
- Linköpings universitetTekniska högskolan (creator_code:org_t)
Related titles
- In:Journal of Physics and Chemistry of Solids: Elsevier BV67:10-sep, s. 2132-21350022-36971879-2553
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