Interaction of neutral vacancies and interstitials with the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mtext>Si</mml:mtext><mml:mo>(</mml:mo><mml:mn>001</mml:mn><mml:mo>)</mml:mo></mml:mrow></mml:math>surface

Kirichenko, Taras A.; Banerjee, Sanjay K.; Hwang, Gyeong S.

doi:10.1103/physrevb.70.045321

Cited by 17 publications

(11 citation statements)

References 39 publications

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“…We admit that the approach could be oversimplified, but it should be physically sound and sufficient in approximating changes in the capture radius with cluster size, given that the formation energy of interstitials is a function of local strain. [43][44][45] As summarized in Fig. 8͑b͒, by and large the predicted capture radius increases with cluster size, consistent with earlier inverse model studies.…”

Section: Resultssupporting

confidence: 87%

Structure and stability of small compact self-interstitial clusters in crystalline silicon

Lee

Hwang

2008

Phys. Rev. B

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We have determined the atomic structure and formation energies of small, compact self-interstitial clusters ͑I n , n ഛ 10͒ in Si using a combination of Metropolis Monte Carlo, tight binding molecular dynamics, and density functional theory calculations. We present predicted local-minimum configurations for compact selfinterstitial clusters with n = 5 -10, together with well-defined smaller clusters ͑n ഛ 4͒ for comparison. The cluster formation energies per interstitial exhibit strong minima at n = 4 and 8.

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Section: Resultssupporting

confidence: 87%

Structure and stability of small compact self-interstitial clusters in crystalline silicon

Lee

Hwang

2008

Phys. Rev. B

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“…This assumption may not be correct, as quantum calculations suggest that pathways and energetics for subsurface vacancy diffusion can differ from those in the bulk. 10 For example, such calculations indicate that vacancies in the third subsurface layer of Si͑100͒ diffuse parallel to the surface with an energy barrier of 0.6 eV, but diffuse perpendicularly up toward the surface with a lower barrier of 0.4 eV. Such anisotropy is not observed in the deep bulk.…”

Section: A Determination Of the Multiplicative Constantmentioning

confidence: 99%

“…There is no such evidence for neutral interstitials, though the calculations suggest that self-interstitials in ͑110͒ ʈ at the second subsurface layer have formation energies only 0.2 eV above those of surface adatoms. 10 We do not know the charge state of the subsurface interstitials; Si selfinterstitials can exist in several such states, and the ionization levels are poorly known. [19][20][21][22] In a related vein, tight-binding molecular-dynamics simulations, 23,24 and quantum calculations 25 of bulk interstitial-vacancy recombination in Si suggest that interstitials do not recombine easily with vacancies as might otherwise be expected.…”

Section: A Simple Expression For Annihilation Probabilitymentioning

confidence: 99%

Precursor mechanism for interaction of bulk interstitial atoms withSi(100)

Zhang

Kwok

et al. 2006

Phys. Rev. B

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In the same way that gases react with surfaces from above, solid-state point defects such as interstitial atoms can react from below. Little attention has been paid to this form of surface chemistry. Recent bulk selfdiffusion measurements near the Si͑100͒ surface have quantified Si interstitial annihilation rates, and shown that these rates can be described by an annihilation probability that varies by two orders of magnitude in response to saturation of surface dangling bonds by submonolayer gas adsorption. The present work shows by modeling that the interstitial annihilation kinetics are well described by a precursor mechanism in which interstitials move substantial distances parallel to the surface before incorporation.

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“…Although the exact geometry is to be determined, there is evidence from quantum calculations that neutral vacancies can be trapped in the third subsurface layer of Si (100) [6]. The calculations also suggest that self-interstitials in (110)11 at the second subsurface layer have formation energies only 0.2 eV above those of surface adatoms [6].…”

Section: Physical Model 1 Introductionmentioning

confidence: 99%

“…in the subsurface layers [6] [7]. Although the exact geometry is to be determined, there is evidence from quantum calculations that neutral vacancies can be trapped in the third subsurface layer of Si (100) [6].…”

Section: Physical Model 1 Introductionmentioning

confidence: 99%

Physical Model for Surface Annihilation of Silicon Interstitials during Annealing

Zhang¹,

Yu²,

Zhan³

et al.

2006 International Workshop on Junction Technology

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Surface annihilation is the main mechanism through which implantation defects are annealed out from Si wafer. Surface annihilation possibility of silicon interstitials has obvious impact on total diffusion of dopant as well as junction depth. In this paper, a model on variation of surface annihilation possibility for silicon interstitials is proposed. By considering the surface annihilation rate and desorption rate and surface defect point, the analytical model for effective surface annihilation possibility is developed and verified. The impact of surface annihilation possibility on enhanced diffusion is simulated.interstitials [2]. However it is still not very clear how the surface annihilation possibility change with surface conditions. Some model is needed to predict the surface behavior. In this paper, we presented a new analytical model on Si surface annihilation possibility. In this model, mechanism of absorption and desorption of Si interstitials at surface is considered. Change of surface structure is taking into account. The model is verified by the experimental results [3]. Simulation on Si isotopes diffusion and B diffusions considering surface annihilation possibility is discussed. Physical Model 1. IntroductionEnhanced diffusion of B has been investigated a lot for shallow junction formation. It is suggested that surface annihilation and reflection of Si interstitials has obvious impact on the enhancement of B diffusion [1][2], because B diffusion is assisted by Si interstitials. This is more important in shallow junction formation, where doping region is only about several nm beneath the surface. For high dose ultra-low energy implantation, density of implantation damage is very high. The role of surface annihilation is more important. There has been investigation on how the interaction between surface and defects impacts B diffusion and junction depth [1] [2]. There is also experimental result indicates that variation of physical and chemical surface conditions induces change of surface ability of annihilating Si The present work seeks to develop a kinetic model for surface annihilation of point defects under variation of surface structure. The annihilation rates of point defects were quantified through an effective annihilation probability S defined as the probability that a point defect encountering the surface actually incorporates there and is removed from the bulk [4]. As bulk point defects such as interstitial atoms and vacancies can approach and react from below in the same way that gases approach surfaces from above, our model is analogous to the precursor model used to describe adsorption rates in gas-surface chemistry [5], in which adsorbates move substantial distances parallel to the surface before incorporation. Recent quantum calculations show that the formation energy for silicon interstitials is much lower in the subsurface layers near the surface than in the bulk, which suggests the accumulation of silicon interstitials 1-4244-

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Interaction of neutral vacancies and interstitials with theSi(001)surface

Cited by 17 publications

References 39 publications

Structure and stability of small compact self-interstitial clusters in crystalline silicon

Structure and stability of small compact self-interstitial clusters in crystalline silicon

Precursor mechanism for interaction of bulk interstitial atoms withSi(100)

Physical Model for Surface Annihilation of Silicon Interstitials during Annealing

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