| Download | - View accepted manuscript: Prediction of a bcc–hcp phase transition for Sn : a first-principles study (PDF, 910 KiB)
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| DOI | Resolve DOI: https://doi.org/10.1016/j.ssc.2011.10.003 |
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| Author | Search for: Yao, Yansun1; Search for: Klug, Dennis D.1 |
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| Affiliation | - National Research Council of Canada. NRC Steacie Institute for Molecular Sciences
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| Format | Text, Article |
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| Abstract | The high-pressure structural transformation of elemental Sn is studied using an ab initio density functional theory implementation of the metadynamics method that predicts with sufficient compression, Sn will transform from the bcc structure into an hcp structure. The low-free-energy pathway associated with this phase transition is characterized as the Burgers transition mechanism. The superconducting properties of Sn under pressure are also investigated. Both bcc and hcp structures of Sn exhibit very weak electron–phonon coupling and therefore would not sustain superconductivity at high pressure. |
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| Publication date | 2011-10-12 |
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| In | |
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| Language | English |
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| Peer reviewed | Yes |
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| NPARC number | 19709139 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | 595e4531-8dd0-4e05-86ff-7f418415fcc8 |
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| Record created | 2012-03-28 |
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| Record modified | 2020-04-21 |
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