相关论文: Density-functional description of superconducting …
We study the conductance of a junction between the normal and superconducting segments of a nanowire, both of which are subjected to spin-orbit coupling and an external magnetic field. We directly compare the transport properties of the…
In practical implementations of density-functional theory, the only term where an orbital description is needed is the kinetic one. Even this term in principle depends on the density only, but its explicit form is unknown. We provide a…
A functional theory based on single-particle occupation numbers is developed for pairing. This functional, that generalizes the BCS approach, directly incorporates corrections due to particle number conservation. The functional is…
Uniform semiclassical approximations for the number and kinetic-energy densities are derived for many non-interacting fermions in one-dimensional potentials with two turning points. The resulting simple, closed-form expressions contain the…
A model for quantum tunnelling of a cluster comprising A identical particles, coupled by oscillator-type potential, through short-range repulsive potential barriers is introduced for the first time in the new symmetrized-coordinate…
We investigate the superconducting proximity effect in a clean magnetic structure consisting of two ferromagnetic layered domains with antiparallel magnetizations in contact with a superconductor. Within the quasiclassical Green's function…
We present a set of benchmark calculations for the Kohn-Sham elastic transmission function of five representative single-molecule junctions. The transmission functions are calculated using two different density functional theory (DFT)…
Density functional theory is usually formulated in terms of the density in configuration space. Functionals of the momentum-space density have also been studied, and yet other densities could be considered. We offer a unified view from a…
A rigorous derivation of the density functional in the Hohenberg-Kohn theory is presented. With no assumption regarding the magnitude of the electric coupling constant $e^2$ (or correlation), this work provides a firm basis for…
We have measured the tunneling density of states (DOS) in a superconductor carrying a supercurrent or exposed to an external magnetic field. The pair correlations are weakened by the supercurrent, leading to a modification of the DOS and to…
In this chapter, we provide a review of ground-state Kohn-Sham density-functional theory of electronic systems and some of its extensions, we present exact expressions and constraints for the exchange and correlation density functionals,…
We study the electric and thermoelectric transport properties of correlated quantum dots coupled to two ferromagnetic leads and one superconducting electrode. Transport through such hybrid devices depends on the interplay of…
We study Density Functional Theory models for systems which are translationally invariant in some directions, such as a homogeneous 2-d slab in the 3-d space. We show how the different terms of the energy are modified and we derive reduced…
External potentials play a crucial role in modelling quantum systems, since, for a given inter- particle interaction, they define the system Hamiltonian. We use the metric space approach to quantum mechanics to derive, from the energy…
There should be no question that magnetism and superconductivity appear in close proximity in many if not most of the unconventional superconductors. These two phases are importantly correlated: the strongest manifestations of this…
Conducting altermagnets have recently emerged as intriguing materials supporting strongly spin-polarized currents without magnetic stray fields. We demonstrate that altermagnets enable three key functionalities, merging superconductivity…
The density functional theory for superconductors developed in the preceding article [cond-mat/0408685] is applied to the calculation of superconducting properties of several elemental metals. In particular, we present results for the…
The quasiclassical theory in terms of equations for the Green's functions (Eilenberger equations) is generalized in order to allow for quantitative description of the magneto-electric effects and proximity-induced triplet correlations in…
The correlation energy in density functional theory can be expressed exactly in terms of the change in the probability of finding two electrons at a given distance $r_{12}$ (intracule density) when the electron-electron interaction is…
Transport through an Anderson junction (two macroscopic electrodes coupled to an Anderson impurity) is dominated by a Kondo peak in the spectral function at zero temperature. The exact single-particle Kohn-Sham potential of density…