Related papers: Interface controlled electronic charge inhomogenei…
Hybridization effects play a crucial role in determining the electronic properties of hybrid inorganic/organic interfaces. To gain insight into these important interactions, we perform a first-principles study based on hybrid…
High-temperature superconductivity in cuprate materials remains a major challenge in physics due to the complexity of their strongly correlated electronic states. Interfacial strain is a powerful lever for tuning electronic correlations in…
The control of spin-dependent properties by voltage, not involving magnetization switching, has significant advantages for low-power spintronics. Here, we predict that the interfacial crystal Hall effect (ICHE) can serve for this purpose.…
We theoretically investigate the role of the dielectric mismatch between materials on the energy levels and recombination energies of a core-shell nanowire. Our results demonstrate that when the dielectric constant of the core material is…
This paper explores the transport properties of aluminum-carbon composite material via ab initio methods. Interfacial and electronic dynamics of the aluminum-graphene interface structure were investigated using models of amorphous graphene…
In van der Waals bonded or rotationally disordered multilayer stacks of two-dimensional (2D) materials, the electronic states remain tightly confined within individual 2D layers. As a result, electron-phonon interactions occur primarily…
In this paper we investigate the effect of strong electronic interactions on the thermoelectric properties of a simple generic system, consisting of a single correlated layer sandwiched between two metallic leads. Results will be given for…
This article surveys the physics of systems proximate to Mott insulators, and presents a classification using conventional and topological order parameters. This classification offers a valuable perspective on a variety of conducting…
The Hubbard-Holstein model is one of the central models that describe the competition between electron-electron and electron-phonon interactions. In one dimension and at half-filling, the interplay between an electronic spin-density wave…
In addition to electronic polarization or charge redistribution, the shape of neutral conjugated molecules yields position-dependent ionization potentials and electron affinities in organic thin films. Self-consistent I(n) and A(n) are…
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
Interfacial charge transfer in oxide heterostructures gives rise to a rich variety of electronic and magnetic phenomena. Designing heterostructures where one of the thin-film components exhibits a metal-insulator transition opens a…
The ion distribution of electrolytes near interfaces with dielectric contrast has important consequences for electrochemical processes and many other applications. To date, most studies of such systems have focused on geometrically simple…
A simple effective model of charge ordered and (or) magnetically ordered insulators is studied. The tight binding Hamiltonian analyzed consists of (i) the effective on-site interaction U, (ii) the intersite density-density interaction W and…
We study correlated electron states in frustrated geometry of a triangular lattice. The interplay of long range interactions and finite residual entropy of a classical system gives rise to unusual effects in equilibrium ordering as well as…
Establishing a minimal microscopic model for cuprates is a key step towards the elucidation of a high-$T_c$ mechanism. By a quantitative comparison with a recent \emph{in situ} angle-resolved photoemission spectroscopy measurement in doped…
Disorder and homogeneity are two concepts that refer to spatial variation of the system potential. In condensed-matter systems disorder is typically divided into two types; those with local parameters varying from site to site (diagonal…
We examine the modified electronic states at the interface between superconducting and ferro(para)-electric heterostructures. We find that electric polarization $P$ and superconducting $\psi$ order parameters can be significantly modified…
We present studies of an effective model which is a simple generalization of the standard model of a local pair superconductor with on-site pairing (i.e., the model of hard core bosons on a lattice) to the case of finite pair binding…
Hybrid ferromagnetic metal/organic interfaces (spinterfaces) exhibit unique properties, including spin filtering. In parallel, chiral organic molecules can themselves induce efficient spin filtering, leading to unexpectedly high spin…