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Using event-driven kinetic Monte-Carlo simulations we investigate the early stage of non-equilibrium surface growth in a generic model with anisotropic interactions among the adsorbed particles. Specifically, we consider a two-dimensional…

软凝聚态物质 · 物理学 2018-10-24 Thomas Martynec , Sabine H. L. Klapp

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…

介观与纳米尺度物理 · 物理学 2012-04-03 B. Monserrat

We study the rate of activated motion over multiple barriers, in particular the correlated double-jump of an adatom diffusing on a missing-row reconstructed Platinum (110) surface. We develop a Transition Path Theory, showing that the…

材料科学 · 物理学 2009-10-30 Joachim Jacobsen , Karsten W. Jacobsen , James P. Sethna

The effect that an additional energy barrier E_{kr} for step adatoms moving around kinks has on equilibrium step edge fluctuations is explored using scaling arguments and kinetic Monte Carlo simulations. When mass transport is through step…

材料科学 · 物理学 2009-11-07 Jouni Kallunki , Joachim Krug

The nucleation and growth of two--dimensional islands is studied with Monte Carlo simulations of a pair--bond solid--on--solid model of epitaxial growth. The conventional description of this problem in terms of a well--defined critical…

凝聚态物理 · 物理学 2009-10-28 C. Ratsch , P. Šmilauer , A. Zangwill , D. D. Vvedensky

The effect of impurities on epitaxial growth in the submonolayer regime is studied using kinetic Monte Carlo simulations of a two-species solid-on-solid growth model. Both species are mobile, and attractive interactions among adatoms and…

材料科学 · 物理学 2007-05-23 Miroslav Kotrla , Joachim Krug , Pavel Smilauer

The decay of hexagonal Ag adatom islands on top of larger Ag adatom islands on a Ag(111) surface is followed by a fast scanning tunneling microscope. Islands do not always show the expected increase in decay rate with decreasing island…

其他凝聚态物理 · 物理学 2009-11-11 Karina Morgenstern , Erik Lae gsgaard , Flemming Besenbacher

An extended elastic eigenvector approach had earlier been developed to interpret ab-initio calculations of adatom interactions. It shows oscillating interactions as well as trio- and quarto (multisite) terms within clusters. It is now…

材料科学 · 物理学 2020-03-18 Wolfgang Kappus

The effects of adsorbates on nucleation and growth of two-dimensional islands is investigated by kinetic Monte Carlo simulations and rate equation theory. The variation of island morphology with adsorbate parameters is discussed and the…

材料科学 · 物理学 2007-05-23 Miroslav Kotrla , Joachim Krug , Pavel Smilauer

Since metallic surface states on (111) noble metals are free-electron like, their propagators can be evaluated analytically. Since they are well-screened, one can use simple tight-binding formalism to study their effects. The needed phase…

材料科学 · 物理学 2009-11-10 Per Hyldgaard , T. L. Einstein

An analytical model for the evolution of the boundary of the new phase in transformations ruled by nucleation and growth is presented. Both homogeneous and heterogeneous nucleation have been considered: The former includes transformations…

材料科学 · 物理学 2020-08-26 Massimo Tomellini

We investigate the growth of a film of some element B on a substrate made of another substrance A in a model of molecular beam epitaxy. A vertical exchange mechanism allows the A-atoms to stay on the growing surface with a certain…

统计力学 · 物理学 2009-11-10 Boris Bierwald , Michael von den Driesch , Zeno Farkas , Sang Bub Lee , Dietrich E. Wolf

Graphene, a flat monolayer of carbon atoms packed tightly into a two dimensional hexagonal lattice, has unusual electronic properties which have many promising nanoelectronic applications. Recent Low Energy Electron Microscopy (LEEM)…

材料科学 · 物理学 2016-02-05 J H Lloyd-Williams

A direct observation of nucleation of Ge hut clusters formed by ultrahigh vacuum molecular beam epitaxy is reported for the first time. The nuclei of the pyramidal and wedge-like clusters have been observed on the wetting layer blocks and…

介观与纳米尺度物理 · 物理学 2010-07-30 Larisa V. Arapkina , Vladimir A. Yuryev

The steps at the crystal surfaces could be transparent for the migrating adatoms. In the case of significant transparency the velocity of a given step in a given moment is affected by detachment of atoms from rather distant steps in rather…

其他凝聚态物理 · 物理学 2008-10-15 Bogdan Ranguelov , Stoyan Stoyanov

An extended elastic eigenvector approach for adatom interactions is applied to model Nitrogen c(2x2) Atom islands on Cu(001). Oscillating interactions between adatom monomers or dimers are considered. Attractive pair interactions of adatoms…

材料科学 · 物理学 2020-09-29 Wolfgang Kappus

Homogeneous nucleation of the new phase of one transition near a second phase transition is considered. The system has two phase transitions, we study the nucleation of the new phase of one of these transitions under conditions such that we…

统计力学 · 物理学 2009-11-07 Z. Tavassoli , R. P. Sear

Phase transitions ruled by nucleation and growth can occur by nonrandom arrangement of nuclei. This is verified, for instance, in thin film growth at solid surfaces by vapor condensation or by electrodeposition where, around each nucleus, a…

统计力学 · 物理学 2025-06-11 M. Tomellini

Reactive dopant atoms embedded in inert host metal surfaces define the active sites in single-atom alloys (SAAs), yet SAA synthesis remains challenging. To address this, we elucidate how dopant adatoms deposited on Cu and Ag surfaces become…

材料科学 · 物理学 2025-12-01 Ioannis Karageorgiou , Angelos Michaelides , Fabian Berger

Several aspects of the theory of epitaxial crystal growth from atomic or molecular beams are developed from the perspective of statistical physics. Lectures are devoted to the rate equation theory of two-dimensional nucleation and its…

统计力学 · 物理学 2009-11-07 Joachim Krug