Related papers: Density-functional description of superconducting …
Inspired by earlier work on the band-gap problem in insulators, we reexamine the treatment of strongly correlated Hubbard-type models within density-functional theory. In contrast to previous studies, the density is fully parametrized by…
Application of Bardeen's tunneling theory to magnetic tunnel junctions having a general degree of atomic disorder reveals the close relationship between magneto-conduction and voltage-driven pseudo-torque, as well as the thickness…
We report calculations of the electronic structure and magnetic properties of YFe$_2$Ge$_2$ and discuss the results in terms of the observed superconductivity near magnetism. We find that YFe$_2$Ge$_2$ is a material near a magnetic quantum…
Informed by an abstraction of Kohn-Sham computation called a KS machine, a functional analytic perspective is developed on mathematical aspects of density functional theory. A natural semantics for the machine is bivariate, consisting of a…
The two-flavor color superconductivity is examined over a wide range of baryon density with a single model. To study the structural change of Cooper pairs, quark correlation in the color superconductor is calculated both in the momentum…
Density scaling has a rich history in density functional theory, providing exact conditions for use in the construction of ever more accurate approximations to the unknown exchange-correlation functional. We define a conjugate potential…
Selfconsistent equations which describe the order parameter and chemical potential behaviour in $2D$ metalic system as functions of external magnetic field, $H$, temperature, $T$, and carrier density, $n$, are obtained. It is shown that for…
We apply non-local density functional formalism to describe an equilibrium distribution of the water-like fluid in the asymmetric nanoscale junction presenting an atomic force microscope (AFM) tip dwelling above an arbitrary surface. The…
We derive and analyze a hierarchy of approximations to the strongly correlated limit of the Hohenberg-Kohn functional. These "density representability approximations" are obtained by first noting that in the strongly correlated limit,…
In modeling low-dimensional electronic nanostructures, the evaluation of the electron-electron interaction is a challenging task. Here we present an accurate and practical density-functional approach to the two-dimensional many-electron…
Electron transport properties in nanostructures can be modeled, for example, by using the semiclassical Wigner formalism or the quantum mechanical Green's functions formalism. We compare the performance and the results of these methods in…
Density functional theory stems from the Hohenberg-Kohn-Sham-Mermin (HKSM) theorem in the grand canonical ensemble (GCE). However, as recent work shows, although its extension to the canonical ensemble (CE) is not straightforward, work in…
The density-functional approach to quantum electrodynamics is extending traditional density-functional theory and opens the possibility to describe electron-photon interactions in terms of effective Kohn-Sham potentials. In this work, we…
Density functional theory (DFT) offers a desirable balance between quantitative accuracy and computational efficiency in practical many-electron calculations. Its central component, the exchange-correlation energy functional, has been…
The response of an infinite, periodic, insulating, solid to an infinitesimally small electric field is investigated in the framework of Density Functional Theory. We find that the applied perturbing potential is not a unique functional of…
The high temperature superconductivity in cuprate materials1 has puzzled scientists over twenty years. We must find a new way to understand superconductivity. It is found the spin-charge correlation may dominate the superconductivity2, and…
The tunneling effect is the most popular phenomenon of quantum physics and is present in modern physical theories. Still, the most important features of this effect are already present in toy models - low dimensional quantum mechanics with…
Exact density-functional theory is reconstructed here from its convex variational structure as two parallel exact ensemble hierarchies: an interacting hierarchy rooted in Lieb's ensemble formulation and a noninteracting hierarchy rooted in…
A hard sphere fluid confined by hard, structureless, and parallel walls is investigated using a certain version of weighted density functional theory. The density profile, the excess coverage, the finite size contribution to the free…
Uniqueness of effective interaction defined in an extension of the Kohn-Sham theory is proved, if the model with a non-degenerate ground state exists and to reproduce a correlation function as well as the single-particle density of an…