Related papers: Non-mean-field theory of anomalously large double-…
The dynamical mean-field theory (DMFT) is employed to study the Mott transition in the semi-infinite Hubbard model at half-filling and zero temperature. We consider the low-index surfaces of the three-dimensional simple-cubic lattice and…
A model is presented for two-dimensional superconductivity at semiconductor-on-metal interfaces mediated by Coulomb interactions between electronically-active interface charges in the semiconductor and screening charges in the metal. The…
The structure and thickness of the electrical double layer (EDL) at carbon electrodes strongly influence electrochemical performance, yet remain poorly understood in super-concentrated aqueous electrolytes. Here we combine classical and…
We study the Hall effect in diluted plasmas within the two-fluids theory. Composed by two distinct species with opposite charge, such as electrons and ions in fully ionised hydrogen, the plasma is driven by an electric field through a…
Asymmetric valences in a binary electrolyte can significantly affect the performance of systems such as reverse electrodialysis cells, batteries, and supercapacitors. To generate a theoretical understanding of this effect, we consider a…
The electric field dielectric polarization-based separations mechanism represents a novel method for separating solutions at small length scales. An electric field gradient with a maximum strength of $\mathrm{0.4~MV/m}$ applied across a…
Photons mediate long-range optomechanical forces between atoms in high finesse resonators, which can induce the formation of ordered spatial patterns. When a transverse laser drives the atoms, the system undergoes a second order phase…
Constant-potential molecular dynamics (MD) simulations are indispensable for understanding the capacitance, structure, and dynamics of electrical double layers (EDLs) at the atomistic level. However, the classical constant-potential method,…
Zero-point fluctuations of surface plasmon modes near the interface between metal and nonlinear dielectric are shown to produce a thin layer of altered dielectric constant near the interface. This effect may be sufficiently large to produce…
We are interested in rationalizing the phenomenon of like-charge attraction between charged bodies, such as a pair of colloids, in the strong coupling regime. The two colloids are modelled as uniformly charged parallel plates, neutralized…
The ab initio simulation of charged interfaces in the framework of density functional theory (DFT) is heavily employed for the study of electrochemical energy conversion processes. The capacitance is the primary descriptor for the response…
Simulations are carried out based on the dynamical mean-field theory (DMFT) in order to investigate the properties of correlated thin films for various values of the chemical potential, temperature, interaction strength, and applied…
A diffuse interface (phase field) model for an electrochemical system is developed. We describe the minimal set of components needed to model an electrochemical interface and present a variational derivation of the governing equations. With…
The notion of a band gap is ubiquitous in the characterization of matter. Particularly interesting are pseudo-gaps, which are enigmatic regions of very low density of states that have been linked to novel phenomena like high temperature…
Manipulating the electrostatic double layer and tuning the conductance in nanofluidic systems at salt concentrations of 100 mM or higher has been a persistent challenge. The primary reasons are (i) the short electrostatic proximity length,…
The mesoscopic field theory for ionic systems [A. Ciach and G. Stell, J. Mol. Liq. 87, 255 (2000)] is extended to the system with charged boundaries. A very simple expression for the excess grand potential functional of the charge density…
Ionic liquids (ILs) are an extremely exciting class of electrolytes for energy storage applications because of their unique combination of properties. Upon dissolving alkali metal salts, such as Li or Na based salts, with the same anion as…
The remarkably low experimental values of the capacitance data of carbon based materials in contact with water solvent needs to be explained from a microscopic theory in order to optimize the efficiency of these materials. We show that this…
Infinite-layer nickelate superconductors are typically synthesized as thin films and thus include, besides the more bulk-like inner layers, distinct surface and interface layers in contact with the vacuum and substrate, respectively. Here,…
Using dynamical mean-field theory (DMFT) we study a simplified model for heterostructures involving superconductors. The system is driven out-of-equilibrium by a voltage bias, imposed as an imbalance of chemical potential at the interface.…