Related papers: SCOZA for Monolayer Films
Self-assembled monolayers (SAMs) have been used to improve both the positive and negative bias-stress stability of amorphous indium gallium zinc oxide (IGZO) bottom gate thin film transistors (TFTs). N-hexylphosphonic acid (HPA) and…
We study the limit of large onsite repulsion of the one-dimensional Bose-Hubbard model at low densities, and derive a strong-coupling effective Hamiltonian. By taking the lattice parameter to zero, the Hamiltonian becomes a continuum model…
Using oxide substrates for functional ceramic thin film deposition beyond their usual application as chemical inert, lattice-matched support for the films represents a novel concept in ceramic thin film research. The substrates are applied…
We present a novel mechanism for thermalizing a system of particles in equilibrium and nonequilibrium situations, based on specifically modeling energy transfer at the boundaries via a microscopic collision process. We apply our method to…
The process of environmental oxidation is pivotal in determining the physical and chemical properties of two-dimensional (2D) materials. Its impact holds great significance for the practical application of these materials in nanoscale…
Engineering thermal transport in two dimensional materials, alloys and heterostructures is critical for the design of next-generation flexible optoelectronic and energy harvesting devices. Direct experimental characterization of lattice…
In this paper we consider a superconducting film modeled by the Ginzburg-Landau model, confined between two parallel planes a distance $L$ apart from one another. Our approach is based on the Gaussian effective potential in the transverse…
Using a lattice-gas model with pairwise interactions, we study the ordered structures, coverage dependence of the heat of adsorption, and other experimentally observable behavior of adsorbed CO overlayers on Pd(100) single crystal surfaces.…
Many nematic liquid crystals are not able to form stable monolayers at the air/water interface because of the lack of a polar headgroup. A possible way to obtain a monomolecular film with these compounds is to incorporate them into host…
Silicon thin films for coverages ($\theta$) between 0.3 and 3 monolayers have been grown on rutile \ce{TiO2}(110)-(1x1) at room temperature and studied by x-ray and ultra-violet photoelectron spectroscopies, Auger electron spectroscopy, and…
We introduce a novel mesoscopic computational model based on a multiphase-multicomponent lattice Boltzmann method for the simulation of self-phoretic particles in the presence of liquid-liquid interfaces. Our model features fully resolved…
Various nanostructured thin solid films on silicate based glass plates commonly used as substrates in contemporary vacuum technologies are studied. Evolution of mesostructured spiral and spiral crack patterns as a result of shrinkage or…
In simulating continuum model fluids that undergo phase separation and criticality, significant gains in computational efficiency may be had by confining the particles to the sites of a lattice of sufficiently fine spacing, $a_{0}$…
The self-diffusion process of a hard sphere fluid confined by two parallel plates separated by a distance on the order of the particle diameter is studied. The starting point is a closed kinetic equation for the distribution function that…
The transport properties of the planar rotator model on a square lattice are analyzed by means of microcanonical and non--equilibrium simulations. Well below the Kosterlitz--Thouless--Berezinskii transition temperature, both approaches…
The possibility of generation of stable self-focusing beams in in-plane magnetized thin magnetic films is considered and theoretical conditions for the existence of such localized solutions are discussed. It is shown that for the definite…
Entropic lattice Boltzmann methods have been developed to alleviate intrinsic stability issues of lattice Boltzmann models for under-resolved simulations. Its reliability in combination with moving objects was established for various…
To better understand the electronic and chemical properties of wide-gap oxide surfaces at the atomic scale, experimental work has focused on epitaxial films on metal substrates. Recent findings show that these films are considerably thinner…
Instead of the homogeneous ordered particle distributions characteristic to equilibrium systems a self-organizing polydomain structure is found to be stable at low temperatures in a square lattice-gas model with repulsive nearest neighbor…
Size-property relations in plasma-modified ZnO thin films have been investigated as a function of plasma treatment duration. The correlations between crystallite sizes and the morphological characteristics of films have been extracted on…