Effect of kinks and concerted diffusion mechanisms on mass transport and growth on stepped metal surfaces

Merikoski, J.; Vattulainen, Ilpo; Heinonen, J.; Ala-Nissilä, Tapio

doi:10.1016/s0039-6028(97)00349-x

Cited by 80 publications

(47 citation statements)

References 112 publications

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“…[11] the EMT barriers and their relative ordering is in good agreement with available experimental data for the Cu(001) surface. The intralayer hopping rate n of an atom to a vacant nearest neighbor (NN) site can be well approximated by [11] …”

Section: (Received 14 November 2000)supporting

confidence: 87%

“…Namely, for simple metals such as Cu surfaces vicinal to fcc(001), at close packed step edges a strong KESE is expected. This is because theoretical estimates indicate barriers of the order of 0.5 eV for jumps around the kink site in the close packed [110] direction [11]. This is nearly twice the barrier of 0.26 eV for jumps along the straight step edge [11].…”

Section: (Received 14 November 2000)mentioning

confidence: 97%

“…The model system used here is based on KMC simulations of a lattice-gas model [13] with energetics obtained from the effective medium theory (EMT) potential [11]. As discussed in detail in Ref.…”

Section: (Received 14 November 2000)mentioning

confidence: 99%

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Instability and Wavelength Selection during Step Flow Growth of Metal Surfaces Vicinal to fcc(001)

et al. 2001

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We study the onset and development of ledge instabilities during growth of vicinal metal surfaces using kinetic Monte Carlo simulations. We observe the formation of periodic patterns at [110] close packed step edges on surfaces vicinal to fcc(001) under realistic molecular beam epitaxy conditions. The corresponding wavelength and its temperature dependence are studied by monitoring the autocorrelation function for step edge position. Simulations suggest that the ledge instability on fcc(1,1,m) vicinal surfaces is controlled by the strong kink Ehrlich-Schwoebel barrier, with the wavelength determined by dimer nucleation at the step edge. Our results are in agreement with recent continuum theoretical predictions, and experiments on Cu(1,1,17) vicinal surfaces.

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Section: (Received 14 November 2000)supporting

confidence: 87%

Section: (Received 14 November 2000)mentioning

confidence: 97%

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Instability and Wavelength Selection during Step Flow Growth of Metal Surfaces Vicinal to fcc(001)

et al. 2001

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“…The step-corner diffusion is of particular interest due to the kink Ehrlich-Schwoebel ͑KES͒ barrier in relation to island growth and surface morphology. 5, [17][18][19][20] Among the examples, the KES effect has been observed on the Cu ͑1 1 17͒ surface by variable temperature scanning tunneling microscopy which was unable to be explained by the Bales-Zangwill instability. 21 Some studies have also shown that the morphological instability of steps are driven by the KES effect, rather than by the ES effect.…”

Section: Step Corners On (001) Surfacesmentioning

confidence: 99%

Transition-pathway models of atomic diffusion on fcc metal surfaces. II. Stepped surfaces

Kim¹,

Jun²

2007

Phys. Rev. B

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Action-derived molecular dynamics was demonstrated in the companion paper ͑Paper I͒ to be effective for the analysis of atomic surface diffusion. The method is here applied to the search of minimum-energy paths and the calculation of activation energy barriers in more complex single-adatom diffusion processes on fcc metal surfaces containing steps. Diverse diffusion routes are investigated along and across one-or two-layer steps on different surface orientations. Fundamental diffusion mechanisms near the step corners are also studied. Results are analyzed in relation to the island growth mechanism, which is of importance to surface nanoengineering.

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“…The idea of dimer shearing is based on bond-counting arguments which work in many cases for fcc͑100͒ metal surfaces. 6,12,13 The dimer shear mechanism suggests that other concerted diffusion processes could play a role on fcc͑100͒ surfaces for small clusters. However, in general it is very difficult to find such mechanisms due to the possibility of many different transition paths.…”

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confidence: 99%

Energetics and many-particle mechanisms of two-dimensional cluster diffusion on Cu(100) surfaces

2000

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We study the energetics and stability of small Cu clusters on Cu͑100͒ surfaces using molecular statics combined with systematic saddle-point search methods. We find several previously overlooked concerted many-particle processes that play an important role in cluster energetics. In particular, for smaller clusters there is an internal atom row shear mechanism that in some cases determines the rate-limiting step for center-ofmass motion. Our results suggest specific reaction paths for experimentally observed cluster diffusion events.

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Effect of kinks and concerted diffusion mechanisms on mass transport and growth on stepped metal surfaces

Cited by 80 publications

References 112 publications

Instability and Wavelength Selection during Step Flow Growth of Metal Surfaces Vicinal to fcc(001)

Instability and Wavelength Selection during Step Flow Growth of Metal Surfaces Vicinal to fcc(001)

Transition-pathway models of atomic diffusion on fcc metal surfaces. II. Stepped surfaces

Energetics and many-particle mechanisms of two-dimensional cluster diffusion on Cu(100) surfaces

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