Diffusion and mobility of interacting particles on stepped surfaces

Mašín, Martin; Vattulainen, Ilpo; Ala-Nissilä, Tapio; Chvoj, Z.

doi:10.1016/j.susc.2003.07.014

Cited by 14 publications

(14 citation statements)

References 13 publications

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“…In figure 5 we present the plots of the diffusion coefficient for the same parameters as used in the two preceding figures. Here, the coverage dependence compensation between the static and kinetic factors is perfect for the case without interactions, resulting in the coverage-independent diffusion coefficient given in equation (46) of [27]. This is also the limiting value of D(θ) for systems with interactions for θ → 0 while for θ → 1 the limit is given in equation (29) (in figure 5 we have κ = 1).…”

Section: Results: N =mentioning

confidence: 87%

“…The results of such simulations are noisy and unreliable. There exist, however, numerical Monte Carlo simulations of diffusion in an interacting lattice gas on a stepped two-dimensional substrate by Mašín et al [46]. The major difference from our model is that the particles in the simulations, apart from being able to move in the direction across steps (like in our approach), are free to move also along step edges with an interaction-dependent hopping rate.…”

Section: Relation To Earlier Workmentioning

confidence: 90%

“…Section 3 is devoted to a detailed presentation and discussion of selected results and examples: first for n = 1 in section 3.1 and then for n = 3 and 4 in section 3.2. Special attention is paid in section 3.2.1 to a relationship between the results of the present work and the results of the Monte Carlo simulations of [46] before our results for n = 3 and 4 are discussed in detail in section 3.2.2. A short summary and conclusions are contained in a short section 4.…”

Section: J Stat Mech (2010) P03008mentioning

confidence: 93%

“…As V edge grows the diffusion coefficient increases (except at θ = 0 and 1) and reaches in doi:10.1088/1742-5468/2010/03/P03008 Figure 7. Coverage dependence of the collective diffusion coefficient for the onedimensional counterpart of the system investigated in Monte Carlo simulations in [46]. The curves are labelled with e βJ with values of βJ being 3.0 times larger than those used in the numerical simulations on account of the coordination number influence on the effective interaction strength.…”

Section: Relation To Earlier Workmentioning

confidence: 99%

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Collective diffusion in a non-homogeneous interacting lattice gas

2010

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Collective diffusion in an interacting adsorbate on a nonhomogeneous one-dimensional substrate is investigated within the framework of a variational approximation. The substrate inhomogeneity, appropriate to a periodically stepped adsorbate, is represented by a Schwoebel barrier at the step edge and a modified binding at the step site. An elementary cell of a periodic substrate consists of n identical terrace sites and one step site, i.e. it contains n + 1 sites. The adsorbed particles are allowed to interact with each other, both in equilibrium as well as during the transit of a hopping particle over the potential energy barrier separating the initial and the target adsorption site. The interactions modify the rates of particle jumps between the adsorption sites. Cases n = 1, 3 and 4 are investigated in considerable detail and, where appropriate, a comparison with the available computer simulation results in the literature for an analogous two-dimensional system is made. It is shown that preferential geometrical arrangements at several adsorbate densities (coverages) induced by repulsive intra-adsorbate interactions lead to features on the diffusion coefficient versus the coverage curves which can be consistently interpreted. The origin of these features and their relation to intra-adsorbate correlations are examined and discussed. Where possible, the variational theoretical results are confronted with the results of our own computer simulation studies of diffusion.

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Section: Results: N =mentioning

confidence: 87%

Section: Relation To Earlier Workmentioning

confidence: 90%

Section: J Stat Mech (2010) P03008mentioning

confidence: 93%

Section: Relation To Earlier Workmentioning

confidence: 99%

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Collective diffusion in a non-homogeneous interacting lattice gas

2010

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“…More recently, this profile is largely used to describe various systems in the field of condensed matter physics, with phenomenological description based on the Langevin dynamics simulation [29,30] or on the lattice-gas model of a stepped surface through MC simulation. [31,32] It results from these phenomenological studies that it is possible to influence the rate of adatom mobility and collective diffusion on stepped surfaces with a suitable combination of the steps and interaction parameters.…”

Section: High-temperature Diffusionmentioning

confidence: 99%

Energetics and heterodiffusion of Cu on Ag(110) stepped surfaces

Sbiaai

Elkoraychy

Mazroui

et al. 2015

Surface & Interface Analysis

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A molecular-dynamics simulation study has been performed to investigate the Cu adatom diffusion on the (110) stepped surfaces of Ag, using interatomic potentials described by the embedded atom method. We have systematically calculated the energy barriers for different possible diffusion mechanisms, which occur on the terrace and near the step edge. Our findings show that the predominant atomistic diffusion process at step edge and on the terrace is the exchange mechanism with anES barrier about 220 meV lower than that via jumping (290 meV), indicating that the incorporation of Cu adatom into Ag (110) is 'easier' than making a jump on the surface. On the other hand, the calculation of the Ehrlich-Schwoebel (ES) barrier demonstrates that this quantity is equal to 0 meV for the exchange process near the step edge and about 60 meV for channel-channel migration. Thus, the mass transport across steps may be important due to the lack of the ES barriers for exchange mechanism, revealing the possible layer-by-layer growth mode for our heterogeneous system.

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