The role of stoichiometry in superconducting Nb

F. Gala, G. De Marzi, L. Muzzi, G. Zollo

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Abstract

Using first principles calculations based on density functional theory, the electronic, vibrational and superconducting properties of compounds with different stoichiometry ratios in the A15 phase have been studied. To this purpose, the λ mass enhancement parameter, which determines the superconducting critical temperature through the Allen-Dynes modification of the McMillan formula, has been explicitly calculated in the context of the density functional perturbation theory that allows the calculation of the matrix elements of the electron-phonon interactions at different compositions related to the Sn content. Our results provide a better understanding of the inhomogeneous composition of one of the most widely employed low-temperature superconductors, evidencing the electronic properties and the phonon modes that are responsible for the critical temperature degradation as the Sn concentration is varied.
Original languageEnglish
Pages (from-to)32840 - 32846
Number of pages7
JournalPhysical Chemistry Chemical Physics
Volume18
Issue number48
DOIs
Publication statusPublished - 2016
Externally publishedYes

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All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Gala, F., De Marzi, G., Muzzi, L., & Zollo, G. (2016). The role of stoichiometry in superconducting Nb. Physical Chemistry Chemical Physics, 18(48), 32840 - 32846. https://doi.org/10.1039/c6cp06699b