Related papers: Development of Density-Functional Theory for Plasm…
Based on a functional-integral formalism, a generalization of the self-energy-functional theory (SFT) is proposed which is applicable to systems of interacting electrons with disorder. Similar to the pure case without disorder, a…
The coexistence of charge density wave (CDW) and superconductivity in tantalum disulfide (2H-TaS$_2$) at ambient pressure, is boosted by applying hydrostatic pressures up to 30GPa, thereby inducing a typical dome-shaped superconducting…
We use spin-density-functional theory (SDFT) ab initio calculations to theoretically explore the possibility of achieving useful gate control over exchange coupling between cobalt clusters placed on a graphene sheet. By applying an electric…
This is a comprehensive review of the strong-interaction limit of density functional theory. It covers the derivation of the limiting strictly correlated electrons (SCE) functional from exact Hohenberg-Kohn DFT, basic aspects of SCE physics…
Multi-center transition metal complexes (MCTMs) with magnetically interacting ions have been proposed as components for information processing devices and storage units. For any practical application of MCTMs as magnetic units, it is…
In traditional finite-temperature Kohn-Sham density functional theory (KSDFT), the well-known orbitals wall restricts the use of first-principles molecular dynamics methods at extremely high temperatures. However, stochastic density…
We propose a new method for accurately calculating electrical transport properties of a lightly-doped thermoelectric material from density functional theory (DFT) calculations, based on experimental data and density functional theory…
Collective, low-energy excitations in quasi-two-dimensional d-wave superconductors are analyzed. While the long-range Coulomb interaction shifts the charge-density-wave and phase modes up to the plasma energy, the spin-density-wave…
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…
Density functional theory (DFT) has become the most popular approach to electronic structure across disciplines, especially in material and chemical sciences. Last year, at least 30,000 papers used DFT to make useful predictions or give…
Dynamical Mean-Field Theory (DMFT) has opened new perspectives for the investigation of strongly correlated electron systems and greatly improved our understanding of correlation effects in models and materials. In contrast to…
In this article we review essential natures of superconductivity in strongly correlated electron systems (SCES) from a universal point of view. After summarizing experimental results on typical materials such as high-$T_{\rm c}$ cuprates,…
Current-spin density functional theory (CSDFT) provides a framework to describe interacting many-electron systems in a magnetic field which couples to both spin- and orbital-degrees of freedom. Unlike in usual (spin-) density functional…
Strong electron-phonon interactions in cuprates and other high-temperature superconductors have gathered support over the last decade in a large number of experiments. Here I briefly introduce the Froehlich-Coulomb multi-polaron model of…
Using ab-initio density functional theory for superconductors (SCDFT), we systematically study the quaternary borocarbides $RM_2$B$_2$C. Treating the retarded (frequency-dependent) interaction $W(\omega)$ within the random-phase…
Motivated by recent studies on the dynamics of colloidal solutions in narrow channels, we consider the steady state properties of an assembly of non interacting particles subject to the action of a traveling potential moving at a constant…
The strong coupling Eliashberg theory plus vertex correction is used to calculate maps of transition temperature (Tc) in parameter-space characterizing superconductivity. Based on these Tc maps, crossover behaviors are found when…
An essential property of layered systems is the dynamical nature of the screened Coulomb interaction. Low energy collective modes appear as a consequence of the layering and provide for a superconducting-pairing channel in addition to the…
We show that the analytic structure of the dynamical xc kernels of semiconductors and insulators can be sensed in terms of its poles which mark physically relevant frequencies of the system where the counter-phase motion of discrete…
A theory of high temperature superconductivity based on the combination of the fermion-condensation quantum phase transition and the conventional theory of superconductivity is presented. This theory describes maximum values of the…