Ab-initio theory of superconductivity - I: Density functional formalism and approximate functionals
By M. Lüders, Miguel A. L. Marques, N. Lathiotakis, A. Floris, G. Profeta, L. Fast, A. Continenza, S. Massidda, Eberhard K. U. Gross. 2004
232 citations recorded by the source corpus.
An approach to the description of superconductors in thermal equilibrium is developed within a formally exact density functional framework. The theory is formulated in terms of three “densities:” the ordinary electron density, the superconducting order parameter, and the diagonal of the nuclear N-body density matrix. The electron density and the order parameter are determined by Kohn-Sham equations that resemble the Bogoliubov–de Gennes equations. The nuclear density matrix follows from a Schrodinger equation with an effective N-body interaction. These equations are coupled to each other via exchange-correlation potentials which are universal functionals of the three densities. Approximations of these exchange-correlation functionals are derived using the diagrammatic techniques of many-body perturbation theory. The bare Coulomb repulsion between the electrons and the electron-phonon interaction enter this perturbative treatment on the same footing. In this way, a truly ab initio description is achieved which does not contain any empirical parameters.
Subfields: Condensed Matter Physics, Geophysics
View Paper: https://www.semanticscholar.org/paper/bc2bb9e9f2d94957c39f5bdb1ef9ddc4faaa2ab9
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In Condensed Matter Physics
In Geophysics
Citations in the corpus
- The Properties of Hydrogen and Helium Under Extreme Conditions (2011, methodology): “Lüders et al., 2005 developed a multi-component DFT method for a superconducting state, termed SCDFT, which involves solving a set of Kohn–Sham equations for wave functions that represent particle and hole amplitudes, ϕi(r), as well as protonic amplitudes, Φl(R) ,[ −∇ 2 2 + ves [n, χ,Γ](r)− µ ]…”
- Electron-phonon interactions from first principles (2016, background): “mapped the fully-interacting system into an equivalent Kohn-Sham system [61] of non-interacting nuclei and non-interacting, yet superconducting, electrons [373].”