Monte Carlo modeling of Si(100) roughening due to adsorbate–adsorbate repulsion

Aldao, C. M.; Guidoni, S. E.; Xu, Gang; Nakayama, Koji S.; Weaver, J. H.

doi:10.1016/j.susc.2004.01.005

Cited by 10 publications

(9 citation statements)

References 18 publications

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“…4. The PSAI model presents a similar trend of the surface covered by pits to that found in experiments [13].…”

Section: Resultssupporting

confidence: 77%

“…The adsorbate steric-induced roughening has been tested by means of Monte Carlo simulations in a previous work [13] and could not reproduce the large features observed experimentally at low coverages under steady state. Figure 2 depicts the results of a MC simulation including steric repulsions showing the equilibrium configurations for a square lattice of 100 9 100 sites for Cl coverages of 0.1, 0.3, and 0.5 ML.…”

Section: Resultsmentioning

confidence: 99%

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Evaluating Mechanisms of Adsorbate Induced Roughening in Si(100) with Monte Carlo Simulations

Mirabella

Aldao

2011

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Halogen adsorption induces roughening of Si(100) producing pits and regrowth structures that depend on the type of adsorbed halogen and coverage. It is thought that this spontaneous roughening arises from steric repulsions between adsorbates. Recently, new interactions present in the Cl/Si(100) system have been suggested that can also contribute to altering the surface morphology. We used Monte Carlo simulations to determine the effects of the proposed interactions on the surface morphologies as a function of coverage.

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“…4. The PSAI model presents a similar trend of the surface covered by pits to that found in experiments [13].…”

Section: Resultssupporting

confidence: 77%

Section: Resultsmentioning

confidence: 99%

Evaluating Mechanisms of Adsorbate Induced Roughening in Si(100) with Monte Carlo Simulations

Mirabella

Aldao

2011

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“…However, they are expected to be smaller than those of clean Si͑100͒ because Cl destabilizes dimers at steps through adsorbate-adsorbate steric repulsion or back bond weakening. 12,28 This gives rise to rougher steps.…”

Section: ͑3͒mentioning

confidence: 99%

“…Hence, the processes and consequences of the production of pits and regrowth islands on Si(100)-(2ϫ1) have attracted extensive attention. [6][7][8][9][10][11][12][13] To date, however, there have been no studies of the step free energies on Si͑100͒ with halogen adatoms, though such investigations would provide insights into the effects of a large class of adsorbates.…”

Section: Introductionmentioning

confidence: 99%

Step free energies, surface stress, and adsorbate interactions for Cl-Si(100) at 700 K

Khare

Nakayama

et al. 2003

Phys. Rev. B

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The evolution and equilibrium morphology of Si͑100͒ with 0.1 monolayer of adsorbed Cl was studied at 700 K with variable temperature scanning tunneling microscopy. Chlorine caused surface roughening with monolayer pits and regrowth islands. The aspect ratio of these features then increased with their size because of the surface-stress anisotropy. By analyzing the equilibrium feature shape as a function of size, we found that the ratio of step free energies for A-and B-type steps was F b /F a ϭ2.44 for regrowth islands and 3.33 for pits. These ratios are higher than for clean Si͑100͒, F b /F a ϭ2.13, because the steps are destabilized.

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“…The latter was a surprise because the Si surface was thought to be stable against such roughening. [1][2][3][4][5][6][7] In this paper, we use atomic resolution scanning tunneling microscopy (STM) results to compare Si surfaces that are roughened by Br to those that evolve when Si adatoms are deposited onto a Br-saturated Si͑100͒-͑2 ϫ 1͒ surface. Our focus is on the adsorption and diffusion of Si adatoms and the nucleation and growth of the adlayer in the presence of Br.…”

Section: Introductionmentioning

confidence: 99%

Si epitaxial growth on Br-Si(100): How steric repulsive interactions influence overlayer development

Weaver

2004

Phys. Rev. B

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Scanning tunneling microscopy results show the consequences of Si adatom deposition onto Br-saturated Si͑100͒-͑2 ϫ 1͒. Those adatoms undergo an exchange reaction with Br and they are immobile at room temperature. In the low coverage regime, annealing to 650 K leads to dimerization, limited ordering, and the formation of short Si chains. Adatom capture by those chains produces features of even and odd numbers of atoms. Annealing at 700 K eliminates the odd chains, but diffusion is highly constrained by Br site blocking. With subsequent Si depositions, there is further nucleation of chains and chain growth. The local patterning of the Si chains reveals the influence of the Br steric repulsive interactions as out-of-phase structures were favored over in-phase structures around any given chain. Eventually, ͑3 ϫ 2͒ adlayer patches develop. Second layer chains appear after the deposition of ϳ0.3 ML, with layer-2 nucleation at antiphase domain boundaries. Bromine loss was observed, even at 650 K, and it is probably tied to the weaker bonding to single isolated Si adatoms.

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Monte Carlo modeling of Si(100) roughening due to adsorbate–adsorbate repulsion

Cited by 10 publications

References 18 publications

Evaluating Mechanisms of Adsorbate Induced Roughening in Si(100) with Monte Carlo Simulations

Evaluating Mechanisms of Adsorbate Induced Roughening in Si(100) with Monte Carlo Simulations

Step free energies, surface stress, and adsorbate interactions for Cl-Si(100) at 700 K

Si epitaxial growth on Br-Si(100): How steric repulsive interactions influence overlayer development

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