Related papers: Density-functional description of superconducting …
In the present work, we introduce a Self-Consistent Density-Functional Embedding technique, which leaves the realm of standard energy-functional approaches in Density Functional Theory and targets directly the density-to-potential mapping…
The quasidistributions corresponding to the diagonal representation of quantum states are discussed within the framework of operator-symbol construction. The tomographic-probability distribution describing the quantum state in the…
Density functional theory together with the Kohn-Sham scheme represent an efficient framework to recover the ground state density and energy of a many-body quantum system from an auxiliary ``non-interacting'' system (one-body with a local…
We present an extensive theoretical investigation of the proximity effects that occur in Ferromagnet/Superconductor ($F/S$) systems. We use a numerical method to solve self consistently the Bogoliubov-de Gennes equations in the continuum.…
We report tests of various density functionals for ferromagnetic, Fe, Co and Ni with a focus on characterizing the behavior of the so-called strongly constrained and appropriately normed (SCAN) functional. It is found that SCAN is closer in…
We propose a new type of effective densities via the potential distribution theorem. These densities are for the sake of enabling the mapping of the free energy of a uniform fluid onto that of a nonuniform fluid. The potential distribution…
We derive from first principles (without resorting to the replica trick) a density functional theory for fluids in quenched disordered matrices (QA-DFT). We show that the disorder-averaged free energy of the fluid is a functional of the…
Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…
The exchange interaction at interfaces between superconductors (SCs) and ferromagnets (FMs) has been a central topic in condensed matter physics for many decades, starting with the prediction of exotic phases such as the…
Equilibrium particle densities near a hard wall are studied for a quantum fluid made of point charges which interact via Coulomb potential without any regularization. In the framework of the grand-canonical ensemble, we use an equivalence…
It is proven that there exist some universal relations between the energy gap and the differences of the thermodynamic potential, entropy, specific heat and critical magnetic field for many two- and three-dimensional models of…
The dc transport properties of the (S/M)I(M/S) tunnel structure - proximity coupled superconductor (S) and magnetic (M) layers separated by an insulator (I) - in a parallel magnetic field have been investigated. We choose for the M metal…
We investigate proximity-induced superconductivity in monolayers of transition metal dichalcogenides (TMDs) in the presence of an externally generated exchange field. A variety of superconducting order parameters is found to emerge from the…
Potential functional approximations are an intriguing alternative to density functional approximations. The potential functional that is dual to the Lieb density functional is defined and properties given. The relationship between…
We represent the free energy functional by a diagrammatic series with tensorial coefficients indexed by powers of length scale. For hard cores, we obtain Percus' exact functional in one dimension and the Kierlik-Rosinberg form of…
The description of interacting many-electron systems in external magnetic fields is considered in the framework of the optimized effective potential method extended to current-spin-density functional theory. As a case study, a…
The presence of a spin-flip potential at the interface between a superconductor and a ferromagnetic metal allows for the generation of equal-spin spin-triplet Cooper pairs. These Cooper pairs are compatible with the exchange interaction…
The properties of the known superconductors can be explained with the correlations dominated superconducting mechanism (CSM). The correlations have the spin correlation, the charge correlation and the spin-charge correlation, and their…
In all theoretical treatments of electron transport through single molecules between two metal electrodes, a clear distinction has to be made between a coherent transport regime with a strong coupling throughout the junction and a Coulomb…
A density functional theory is developed for fermions in one dimension, interacting via a delta-function. Such systems provide a natural testing ground for questions of principle, as the local density approximation should work well for…