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Distortions and sta...
Distortions and stabilization of simple-cubic calcium at high pressure and low temperature
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Mao, Wendy L. (author)
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Wang, Lin (author)
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Ding, Yang (author)
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Yang, Wenge (author)
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Liu, Wenjun (author)
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- Kim, Duck Young (author)
- Uppsala universitet,Institutionen för fysik och astronomi
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- Luo, Wei (author)
- Uppsala universitet,KTH,Tillämpad materialfysik,Institutionen för fysik och astronomi
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- Ahuja, Rajeev (author)
- Uppsala universitet,KTH,Tillämpad materialfysik,Institutionen för fysik och astronomi
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Meng, Yue (author)
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Sinogeikin, Stas (author)
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Shu, Jinfu (author)
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Mao, Ho-kwang (author)
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(creator_code:org_t)
- 2010-05-17
- 2010
- English.
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In: Proceedings of the National Academy of Sciences of the United States of America. - : Proceedings of the National Academy of Sciences. - 0027-8424 .- 1091-6490. ; 107:22, s. 9965-9968
- Related links:
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http://www.pnas.org/...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Subject headings
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- 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
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- lattice-dynamics
- phase
- ca
- vanadium
- metals
- sodium
- TECHNOLOGY
- TEKNIKVETENSKAP
- Physics
Publication and Content Type
- ref (subject category)
- art (subject category)
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To the university's database
- By the author/editor
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Mao, Wendy L.
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Wang, Lin
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Ding, Yang
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Yang, Wenge
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Liu, Wenjun
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Kim, Duck Young
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show more...
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Luo, Wei
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Ahuja, Rajeev
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Meng, Yue
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Sinogeikin, Stas
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Shu, Jinfu
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Mao, Ho-kwang
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show less...
- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
- Articles in the publication
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Proceedings of t ...
- By the university
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Royal Institute of Technology
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Uppsala University