Related papers: Burton-Cabrera-Frank theory for surfaces with alte…
We present a combined analytical and numerical approach based on the Mori projection operator formalism and Monte Carlo simulations to study surface diffusion within the lattice-gas model. In the present theory, the average jump rate and…
We study the effect of crystal symmetry and step-edge diffusion on the surface current governing the evolution of a growing crystal surface. We find there are two possible contributions to anisotropic currents, which both lead to the…
We demonstrate the existence of a new topologically ordered phase in Kitaev's honeycomb lattice model. This new phase appears due to the presence of a vortex lattice and it supports chiral Abelian anyons. We characterize the phase by its…
We develop a phenomenological thermodynamic theory of ferroelectric BaTiO3 (BT) thin films epitaxially grown on cubic substrates using the Landau-Devonshire eight-order potential. The constructed "misfit-temperature" phase diagram is…
The active Phase-Field-Crystal (aPFC) model combines elements of the Toner-Tu theory for self-propelled particles and the classical Phase-Field-Crystal (PFC) model that describes the transition between liquid to crystalline phases. In the…
We discuss an active phase field crystal (PFC) model that describes a mixture of active and passive particles. First, a microscopic derivation from dynamical density functional theory (DDFT) is presented that includes a systematic treatment…
Causal inference in spatio-temporal settings is critically hindered by unmeasured confounders with complex spatio-temporal dynamics and the prevalence of multi-resolution data. While diffusion models present a promising avenue for…
The epitaxial growth process of a high symmetry surface occurs because adatoms meet and nucleate new islands, that eventually coalesce and complete atomic layers. During multilayer growth, nucleation usually takes place on top of terraces…
A sublimating vicinal crystal surface can undergo a step bunching instability when the attachment-detachment kinetics is asymmetric, in the sense of a normal Ehrlich-Schwoebel effect. Here we investigate this instability in a model that…
The growth of a crystal is usually determined by its surface. Many factors influence the growth dynamics. Energy barriers associated with the presence of steps most often decide about the emerging pattern. The height and type of…
We study the behavior of single atoms on an infinite vicinal surface assuming certain degree of step permeability. Assuming complete lack of re-evaporation an ruling out nucleation the atoms will inevitably join kink sites at the steps but…
We have developed a continuum model that explains the complex surface shapes observed in epitaxial regrowth on micron scale gratings. This model describes the dependence of the surface morphology on film thickness and growth temperature in…
We consider surface diffusion of a single particle, which performs site-to-site under-barrier hopping, fulfils intrasite motion between the ground and the first excited states within a quantum well, and interacts with surface phonons. On…
The classification of bunching of straight steps on vicinal crystal surfaces identifies two types according to the behavior of the minimal step-step distance in the bunch lmin with increasing the number of steps N in it. In the B1-type lmin…
Here we a present a density functional theory study of pentacene ultra-thin films on flat [(111)] and vicinal [(455)] Au surfaces. We have performed crystal and electronic structure calculations by using PBE and optB86b-vdW functionals and…
This paper introduces a new structural phase field crystal (PFC) type model that expands the PFC methodology to a wider class of structurally complex crystal structures than previously possible. Specifically, our new approach allows for…
Transport at small scales is classically understood within an equilibrium framework, where dispersion theory successfully describes shear-enhanced diffusion for passive particles in the continuum limit. However, as most bacteria can move on…
In this thesis we present a kinetic Monte Carlo model for the description of epitaxial graphene growth. Experimental results suggest a growth mechanism by which clusters of 5 carbon atoms are an intermediate species necessary for nucleation…
The phase field crystal (PFC) approach extends the notion of phase field models by describing the topology of the microscopic structure of a crystalline material. One of the consequences is that local variation of the interatomic distance…
The distinction between absolute and convective instabilities is well known in the context of hydrodynamics and plasma physics. In this Letter, we examine an epitaxial crystal growth model from this point of view and show that a…