First-principles calculation of the real-space order parameter and condensation energy density in phonon-mediated superconductors

Linscheid, A. and Sanna, A. and Floris, A. and Gross, E. K. U. (2015) First-principles calculation of the real-space order parameter and condensation energy density in phonon-mediated superconductors. Physical Review Letters, 115 (9). ISSN 0031-9007

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Abstract

We show that the superconducting order parameter and condensation energy density of phonon-mediated superconductors can be calculated in real space from first principles density functional theory for superconductors. This method highlights the connection between the chemical bonding structure and the superconducting condensation and reveals new and interesting properties of superconducting materials. Understanding this connection is essential to describe nanostructured superconducting systems where the usual reciprocal space analysis hides the basic physical mechanism. In a first application we present results for MgB2, CaC6 and hole-doped graphane.

Keywords:superconductivity, bmjconvert, NotOAChecked
Subjects:F Physical Sciences > F300 Physics
Divisions:College of Science > School of Mathematics and Physics
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ID Code:22787
Deposited On:10 Apr 2016 17:48

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