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Phase stability and superconductivity of strontium under pressure
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2012 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 101, no 5, 052604- p.Article in journal (Refereed) Published
Abstract [en]

We have used the ab initio random structure searching method together with density functional theory calculations to find stable structures of strontium under pressures up to 50 GPa. We predict a sequence of structural phase transitions and the stability of an orthorhombic structure of Cmcm symmetry above 25 GPa. Our energy, lattice dynamics, and molecular dynamics calculations confirm the stability of the Cmcm structure. The electron-phonon coupling calculations show that superconductivity arises in the bcc structure of compressed Sr and that it continues to exist in the Cmcm structure. The calculated superconducting transition temperatures are in good agreement with experiment. Our study gives an excellent account of the experimental observations.

Place, publisher, year, edition, pages
2012. Vol. 101, no 5, 052604- p.
Keyword [en]
Alkaline-Earth Metals, Temperature, Transitions, Barium, Energy
National Category
Physical Sciences
URN: urn:nbn:se:kth:diva-101569DOI: 10.1063/1.4742323ISI: 000307676600052ScopusID: 2-s2.0-84864656035OAI: diva2:548257
Swedish Research Council

QC 20120830

Available from: 2012-08-30 Created: 2012-08-30 Last updated: 2012-09-21Bibliographically approved

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Ahuja, Rajeev
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Applied Material Physics
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