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Isotope effect in the superconducting high-pressure simple cubic phase of calcium from first principles

AutorErrea, Ion; Rousseau, Bruno ; Bergara, Aitor
Fecha de publicación2012
EditorAmerican Institute of Physics
CitaciónJournal of Applied Physics 111(11): 112604 (2012)
ResumenIt has been recently shown [I. Errea, B. Rousseau, and A. Bergara, Phys. Rev. Lett. 106, 165501 (2011)] that the phonons of the high-pressure simple cubic phase of calcium are stabilized by strong quantum anharmonic effects. This was obtained by a fully ab initio implementation of the self-consistent harmonic approximation including explicitly anharmonic coefficients up to fourth order. The renormalized anharmonic phonons make possible to estimate the superconducting transition temperature in this system, and a sharp agreement with experiments is found. In this work, this analysis is extended in order to study the effect of anharmonicity in the isotope effect. According to our calculations, despite the huge anharmonicity in the system, the isotope coefficient is predicted to be 0.45, close to the 0.5 value expected for a harmonic BCSsuperconductor.
Versión del editorhttp://dx.doi.org/10.1063/1.4726161
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