1. Real structure influence on the electron-phonon coupling properties of niobium.
- Author
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Schierning, G., FENdrich, M., and Theissmann, R.
- Subjects
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ELECTRON-phonon interactions , *NIOBIUM , *COUPLING reactions (Chemistry) , *SUPERCONDUCTORS , *STRONG-coupling superconductors , *DENSITY functional theory , *CHARGE density waves - Abstract
We performed density functional theory calculations using niobium (Nb) as a model system of a conventional superconductor, to correlate the distortion of twin defects with the electron-phonon coupling properties. Calculations using different settings of the Nb elementary cell (relaxed, distorted, super cell with zig-zag twin defect) showed that only by including real structure elements into the setting, the Eliashberg spectral function representing the electron-phonon coupling properties was derived convincingly. Based on these density functional theory calculations of the electron-phonon cou- pling properties of Nb, we suggest a model for a combined superconducting/charge density wave ground state which uses a lattice distortion induced into the crystal by two-dimensional defects as modulated background potential of the charge density wave phase. The coexistence of both phases is hereby necessary for a fine-tuning of the Fermi surface within the small local domain of the defect to match the wavelength of the lattice distortion and the Fermi wavelength by pairing fermions to bosons. (© 2015 WILEY-VCH Verlag GmbH &Co. KGaA, Weinheim) [ABSTRACT FROM AUTHOR]
- Published
- 2015
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