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Ab initio study on pressure-induced change of effective Coulomb interaction in superconducting yttrium
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
2010 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 96, no 2, 022510- p.Article in journal (Refereed) Published
Abstract [en]

Ab initio lattice dynamics based on linear response method are performed for high pressure phase of yttrium to describe electron-phonon coupling and subsequent superconducting behavior. The critical temperature T-c in fcc-Y increases monotonically with pressure up to 9.25 K at 31 GPa, which is quantitatively in excellent agreement with two quasihydrostatic experiments and is qualitatively compatible with recent experiments. The excellent agreement with experiments gives us a better understanding of the effective pseudopotential mu(*) as well as spectral function alpha(2)(omega)F(omega) in yttrium. These results demonstrate that there exists strong electron-phonon coupling in Y within the studied pressure regime, and for lower pressure electron correlation becomes stronger. Generally, it is found that superconductivity in yttrium under pressure can be described quantitatively within standard theory of phonon-mediated superconductivity.

Place, publisher, year, edition, pages
2010. Vol. 96, no 2, 022510- p.
Keyword [en]
ab initio calculations, Coulomb blockade, electron-phonon interactions, pseudopotential methods, solid-state phase transformations, superconducting transition temperature, yttrium, generalized gradient approximation, strong-coupled superconductors, transition-temperature, metals, atoms
National Category
Physical Sciences
URN: urn:nbn:se:kth:diva-19117DOI: 10.1063/1.3291050ISI: 000273689400036ScopusID: 2-s2.0-74549217784OAI: diva2:337164
Swedish Research Council
QC 20100525Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2011-01-27Bibliographically approved

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