Simulation of cluster evaporation and transient enhanced diffusion in silicon

Rafferty, C. S.; Gilmer, George H.; Jaraı́z, M.; Eaglesham, D. J.; Gossmann, H.‐J.

doi:10.1063/1.116145

Cited by 150 publications

(71 citation statements)

References 11 publications

(14 reference statements)

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“…Concurrently, a comparison between the KMC and continuous models with the two different sets of reaction rates (taken, respectively, from the works of Giles et al [18] and Rafferty et al [21]) has been reported which suggests that 036705-9 the second setting better reproduces the KMC scenario. The great difference arises from the backward reaction rate k b n , where the exponential energies are fixed equal in both sets, but differences appear in the constant exponential prefactor.…”

Section: Discussionmentioning

confidence: 99%

Kinetic Monte Carlo simulations for transient thermal fields: Computational methodology and application to the submicrosecond laser processes in implanted silicon

et al. 2012

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Pulsed laser irradiation of damaged solids promotes ultrafast nonequilibrium kinetics, on the submicrosecond scale, leading to microscopic modifications of the material state. Reliable theoretical predictions of this evolution can be achieved only by simulating particle interactions in the presence of large and transient gradients of the thermal field. We propose a kinetic Monte Carlo (KMC) method for the simulation of damaged systems in the extremely far-from-equilibrium conditions caused by the laser irradiation. The reference systems are nonideal crystals containing point defect excesses, an order of magnitude larger than the equilibrium density, due to a preirradiation ion implantation process. The thermal and, eventual, melting problem is solved within the phase-field methodology, and the numerical solutions for the space-and time-dependent thermal field were then dynamically coupled to the KMC code. The formalism, implementation, and related tests of our computational code are discussed in detail.As an application example we analyze the evolution of the defect system caused by P ion implantation in Si under nanosecond pulsed irradiation. The simulation results suggest a significant annihilation of the implantation damage which can be well controlled by the laser fluence.

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Section: Discussionmentioning

confidence: 99%

Kinetic Monte Carlo simulations for transient thermal fields: Computational methodology and application to the submicrosecond laser processes in implanted silicon

et al. 2012

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“…Si(113) has a (3 3 2) surface reconstruction at room temperature, and undergoes a phase transition to (3 3 1) around 800 K [5]. There is evidence that both phases are stabilized by highly unusual sixfold coordinated surface self-interstitials [6,7] that are structurally similar to the [110]-split interstitial bulk defects ("͕311͖ defects") important in transient enhanced diffusion [8]. Both (3 3 2) and (3 3 1) periodicities have also been reported for Ge(113), (3 3 2) in diffraction below ϳ120 K, and (3 3 1) for all higher temperatures [9][10][11], but the atomic-scale structures on Ge are in dispute [11,12].…”

Section: Structure Of Ge(113): Origin and Stability Of Surface Self-imentioning

confidence: 99%

Structure of Ge(113): Origin and Stability of Surface Self-Interstitials

1998

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Using atomic-resolution scanning tunneling microscopy and first-principles calculations we show that Ge and Si(113) are structurally similar, contrary to previous reports. Both surfaces have (3 3 2) and (3 3 1) reconstructions stabilized by surface self-interstitials, with the (3 3 2) lower in energy on Si but degenerate with the (3 3 1) on Ge. Statistical analysis of fluctuations observed between the two structures on Ge, combined with calculations for bulk interstitials, indicate that the surface (not the bulk) is the likely source and sink of the surface self-interstitials for both materials.[ S0031-9007(98)

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“…15 In any case, a change in defect stability or the temporary trapping of Si I's would alter B diffusion during the transient period ͑while defects or complexes exist͒, but once defects had been completely annealed out and all Si I's were released, the overall B diffusion should correspond to the excess Si I's generated independently of the stability of defects or complexes where they may have been temporarily stored. 16 An additional contribution of F could be attributed to its transport capability of point defects. If the dominant diffusing species were interstitial F ͑F i ͒, 3 F would only transport itself and the implanted ion would outdiffuse without altering the damage balance associated with the Frenkel pair separation.…”

Section: Resultsmentioning

confidence: 99%

Si interstitial contribution of F+ implants in crystalline Si

López

Pelaz

Duffy

et al. 2008

Journal of Applied Physics

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López, Pedro; Pelaz, L.; Duffy, R.; Meunier-Beillard, P.; Roozeboom, F.; Tak, van der, K.; Breimer, P.; Berkum, van, J.G.M.; Verheijen, M.A.; Kaiser, M. Document VersionPublisher's PDF, also known as Version of Record (includes final page, issue and volume numbers)Please check the document version of this publication:• A submitted manuscript is the author's version of the article upon submission and before peer-review. There can be important differences between the submitted version and the official published version of record. People interested in the research are advised to contact the author for the final version of the publication, or visit the DOI to the publisher's website.• The final author version and the galley proof are versions of the publication after peer review.• The final published version features the final layout of the paper including the volume, issue and page numbers. Link to publication Citation for published version (APA):López, P., Pelaz, L., Duffy, R., Meunier-Beillard, P., Roozeboom, F., Tak, van der, K., ... Kaiser, M. (2008). Si interstitial contribution of F+ implants in crystalline Si. Journal of Applied Physics, 103(9), 093538-1/4. [093538]. DOI: 10.1063/1.2917297 General rightsCopyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights.• Users may download and print one copy of any publication from the public portal for the purpose of private study or research.• You may not further distribute the material or use it for any profit-making activity or commercial gain • You may freely distribute the URL identifying the publication in the public portal ? Take down policyIf you believe that this document breaches copyright please contact us providing details, and we will remove access to the work immediately and investigate your claim. The F effect in crystalline Si is quantified by monitoring defects and B diffusion in samples implanted with 25 keV F + and/or 40 keV Si + . We estimate that about +0.4 Si interstitials are generated per implanted F + ion, in agreement with the value resulting from the net separation of Frenkel pairs. For short annealings, B diffusion is lower when F + is coimplanted with Si + than when only Si + is implanted, while for longer annealings, B diffusion is higher. This is consistent with a lower but longer-lasting Si interstitial supersaturation set by the additional defects generated by the F + implant.

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Simulation of cluster evaporation and transient enhanced diffusion in silicon

Cited by 150 publications

References 11 publications

Kinetic Monte Carlo simulations for transient thermal fields: Computational methodology and application to the submicrosecond laser processes in implanted silicon

Kinetic Monte Carlo simulations for transient thermal fields: Computational methodology and application to the submicrosecond laser processes in implanted silicon

Structure of Ge(113): Origin and Stability of Surface Self-Interstitials

Si interstitial contribution of F+ implants in crystalline Si

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