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- Mao, Wendy L. (author)
Distortions and stabilization of simple-cubic calcium at high pressure and low temperature
- Article/chapterEnglish2010
Publisher, publication year, extent ...
- 2010-05-17
- Proceedings of the National Academy of Sciences,2010
- printrdacarrier
Numbers
- LIBRIS-ID:oai:DiVA.org:kth-24635
- https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-24635URI
- https://doi.org/10.1073/pnas.1005279107DOI
- https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-136068URI
Supplementary language notes
- Language:English
- Summary in:English
Part of subdatabase
- SwePubSwePub
Classification
Notes
- QC 20100920
- Ca-III, the first superconducting calcium phase under pressure, was identified as simple-cubic (sc) by previous X-ray diffraction (XRD) experiments. In contrast, all previous theoretical calculations showed that sc had a higher enthalpy than many proposed structures and had an imaginary (unstable) phonon branch. By using our newly developed submicrometer high-pressure single-crystal XRD, cryogenic high-pressure XRD, and theoretical calculations, we demonstrate that Ca-III is neither exactly sc nor any of the lower-enthalpy phases, but sustains the sc-like, primitive unit by a rhombohedral distortion at 300 K and a monoclinic distortion below 30 K. This surprising discovery reveals a scenario that the high-pressure structure of calcium does not go to the zero-temperature global enthalpy minimum but is dictated by high-temperature anharmonicity and low-temperature metastability fine-tuned with phonon stability at the local minimum.
Subject headings and genre
- NATURVETENSKAP Fysik hsv//swe
- NATURAL SCIENCES Physical Sciences hsv//eng
- lattice-dynamics
- phase
- ca
- vanadium
- metals
- sodium
- TECHNOLOGY
- TEKNIKVETENSKAP
- Physics
Added entries (persons, corporate bodies, meetings, titles ...)
- Wang, Lin (author)
- Ding, Yang (author)
- Yang, Wenge (author)
- Liu, Wenjun (author)
- Kim, Duck YoungUppsala universitet,Institutionen för fysik och astronomi (author)
- Luo, WeiUppsala universitet,KTH,Tillämpad materialfysik,Institutionen för fysik och astronomi(Swepub:uu)weluo226 (author)
- Ahuja, RajeevUppsala universitet,KTH,Tillämpad materialfysik,Institutionen för fysik och astronomi(Swepub:uu)rajeeva (author)
- Meng, Yue (author)
- Sinogeikin, Stas (author)
- Shu, Jinfu (author)
- Mao, Ho-kwang (author)
- Uppsala universitetInstitutionen för fysik och astronomi (creator_code:org_t)
Related titles
- In:Proceedings of the National Academy of Sciences of the United States of America: Proceedings of the National Academy of Sciences107:22, s. 9965-99680027-84241091-6490
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