Related papers: Ab initio Calculations of the Interface States of …
The steady states of three families of one-dimensional non-equilibrium models with open boundaries, first proposed in [22], are studied using a matrix product formalism. It is shown that their associated quadratic algebras have…
We consider three-dimensional statistical systems at phase coexistence in the half-volume with boundary conditions leading to the presence of an interface. Working slightly below the critical temperature, where universal properties emerge,…
The electronic property of monolayer-bilayer hybrid graphene with a zigzag interface is studied by both the Dirac equation and numerical calculation. There are two types of zigzag interface stacks. The dispersion and local density of states…
The formation of interface from an initial sharp interface in polydisperse A/B blends is studied using the external potential dynamic method. The present model is a nonlocal coupling model as we take into account the correlation between…
The properties of Shockley-type interface states between $\pi$-conjugated organic molecular layers and metal surfaces are investigated by time-resolved two-photon photoemission experiments and density functional theory. For perylene- and…
We present an analytical one-dimensional model potential for the description of electronic interface states that form at the interface between a metal surface and flat-lying adlayers of $\pi$-conjugated organic molecules. The model utilizes…
The quasiparticle interference (QPI) technique is a powerful tool that allows to uncover the structure and properties of electronic structure of a material combined with scattering properties of defects at surfaces. Recently this technique…
In 2006, the fourth author proposed a graph-theoretic model of interface dynamics called competitive erosion. Each vertex of the graph is occupied by a particle that can be either red or blue. New red and blue particles alternately get…
Ethyl-hexyl substituted polyfluorene (PF) with its high level of molecular disorder can be described very well by one-carrier space-charge-limited conduction for a discrete set of trap levels with energy $\sim$ 0.5 eV above the valence band…
The purpose of the paper is to suggest a new method which allows one to study multiple coherent reflection/transmissions by partially transparent interfaces (e.g. in multi-layer mesoscopic structures or grain boundaries in high-Tc's) in the…
The excited states of polyatomic systems are rather complex, and often exhibit meta-stable dynamical behaviors. Static analysis of reaction pathway often fails to sufficiently characterize excited state motions due to their highly…
Based on the matrix product states method, we investigate numerically the ground state properties of one-dimensional mixtures of repulsive bosons and spin-imbalanced attractive fermions, the latter being in the…
Tunneling of electrons through rotor-stator anthracene aldehyde molecular interfaces is studied with a combined ab initio and model approach. Molecular electronic structure calculated from first principles is utilized to model different…
We study the states localized near an interface between conducting and insulating bilayer graphene (BLG) and show that they have highly unusual properties that have no analog in conventional systems. Moreover, the states belonging to the…
In this paper we investigate the dynamical behavior of an interface or polymer, in interaction with a distant attractive substrate. The interface is modeled by the graph of a nearest neighbor path with non-negative integer coordinates, and…
Using the Green's function formalism, an ab initio theory for band structures of crystals is derived starting from the Hartree-Fock approximation. It is based on the algebraic diagrammatic construction scheme for the self-energy which is…
The effect of static fluctuations in the phase of the order parameter on the normal and superconducting properties of a 2D system with attractive four-fermion interaction is studied. Analytic expressions for the fermion Green's function,…
The edge states in the hybrid system of single-layer and double-layer graphene are studied in the tight-binding model theoretically. The edge states in one side of the interface between single-layer and double-layer graphene are shown to…
The electronic and transport properties of aluminum-graphene composite materials were investigated using ab initio plane wave density functional theory. The interfacial structure is reported for several configurations. In some cases, the…
We consider a system of repulsively interacting Bose-Fermi mixtures of spin polarized uniform atomic gases at zero temperature. We examine possible realization of p-wave superfluidity of fermions due to an effective attractive interaction…