Sputter erosion of Si(001) using a new silicon MEAM potential and different thermostats

Timonova, Maria; Lee, Byeong-Joo; Thijsse, Barend J.

doi:10.1016/j.nimb.2006.11.023

Cited by 32 publications

(19 citation statements)

References 12 publications

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“…See Ref. 22 for extensive details about the sample structure and the Si and Si-Kr potentials. The temperature was 27°C and the interval between two impacts was 7.1 ps.…”

Section: Discussionmentioning

confidence: 99%

Chemical interaction of B4C, B, and C with Mo/Si layered structures

Rooij-Lohmann

Veldhuizen

Zoethout

et al. 2010

Journal of Applied Physics

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To enhance the thermal stability, B 4 C diffusion barrier layers are often added to Mo/Si multilayer structures for extreme ultraviolet optics. Knowledge about the chemical interaction between B 4 C and Mo or Si, however is largely lacking. Therefore, the chemical processes during annealing up to 600°C of a Mo/ B 4 C / Si layered structure have been investigated in situ with hard x-ray photoelectron spectroscopy and ex situ with depth profiling x-ray photoelectron spectroscopy. Mo/ B/Si and Mo/C/Si structures have also been analyzed as reference systems. The chemical processes in these systems have been identified, with two stages being distinguished. In the first stage, B and C diffuse and react predominantly with Mo. MoSi x forms in the second stage. If the diffusion barrier consists of C or B 4 C, a compound forms that is stable up to the maximum probed temperature and annealing time. We suggest that the diffusion barrier function of B 4 C interlayers as reported in literature can be caused by the stability of the formed compound, rather than by the stability of B 4 C itself.

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“…See Ref. 22 for extensive details about the sample structure and the Si and Si-Kr potentials. The temperature was 27°C and the interval between two impacts was 7.1 ps.…”

Section: Discussionmentioning

confidence: 99%

Chemical interaction of B4C, B, and C with Mo/Si layered structures

Rooij-Lohmann

Veldhuizen

Zoethout

et al. 2010

Journal of Applied Physics

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“…The free surface had been amorphized by prior 500 eV Ar bombardment. 6 The amorphous phase is approximately 25-30 Å thick and is characterized by a mean coordination number of 4.63 at zero temperature, a density varying within 5% of the crystal density, and a maximum local QV concentration of 18% ͑in the middle of the amorphous part͒. 8 As a side remark, we mention that compared with the amorphous phase produced by cooling the liquid to room temperature ͑Sec.…”

Section: Annealing Of the Amorphous Phase Produced By Sputter Bombmentioning

confidence: 99%

“…This density corresponds with the experimental value at 0 K. Si-Si interactions were described with a recent parameterization of the modified embedded atom method potential, called MEAM-L. With the exception of the too high melting temperature ͑2990 K͒, this potential describes silicon properties better that many other potentials. 6,7 All UFMC and MD simulations were done at constant volume unless ͑for MD͒ indicated otherwise.…”

Section: B Simulation Detailsmentioning

confidence: 99%

Modeling diffusion and phase transitions by a uniform-acceptance force-bias Monte Carlo method

2010

Self Cite

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The uniform-acceptance force-bias Monte Carlo ͑UFMC͒ method ͓G. Dereli, Mol. Simul. 8, 351 ͑1992͔͒ is a little-used atomistic simulation method that has strong potential as alternative or complementary technique to molecular dynamics ͑MD͒. We have applied UFMC to surface diffusion, amorphization, melting, glass transition, and crystallization, mainly of silicon. The purpose is to study the potential and the limitations of the method: to investigate its applicability, determine safe and effective values of the two UFMC parameters-a temperature and a maximum allowed atomic displacement per iteration step-that lead to reliable results for different types of simulations, assess the computational speed increase relative to MD, discover the microscopic mechanisms that make UFMC work, and show in what kind of simulations it can be useful and preferable over MD. It is found that in many simulations, UFMC can be a very efficient alternative to MD: it leads to analogous results in much fewer iteration steps. Due to the straightforward formalism of UFMC, it can be easily implemented in any MD code. Thus both methods can be combined and applied in turn, using UFMC for the acceleration of certain processes and MD for keeping precision and monitoring individual atom trajectories.

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“…Previous work has focused on single impact events [8][9][10][11][12], sputtering silicon using argon ions [13][14][15][16][17] and stresses [18]. For a review on the topic see [19].…”

Section: Introductionmentioning

confidence: 99%