Diffusivity of oxygen in silicon at the donor formation temperature

Stavola, Michael; Patel, J. R.; Kimerling, L.C.; Freeland, P. E.

doi:10.1063/1.93731

Cited by 216 publications

(38 citation statements)

References 11 publications

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“…However, because of the low annealing temperature, specially at -485° C. identification of RLD with coesite requires an enhanced oxygen diffusion in silicon. Such an enhancement was, in fact, suggested earlier by Stavola et al [58] in order to explain their dichroic experiments. Many different mechanisms were suggested to explain the latter set of experiments (for a review see [59]).…”

Section: Oxygen Precipitation In Siliconmentioning

confidence: 56%

The martensitic transformation in silicon—III. comparison with other work

Pirouz¹,

Dahmen²,

Westmacott³

et al. 1990

Acta Metallurgica et Materialia

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Section: Oxygen Precipitation In Siliconmentioning

confidence: 56%

The martensitic transformation in silicon—III. comparison with other work

Pirouz¹,

Dahmen²,

Westmacott³

et al. 1990

Acta Metallurgica et Materialia

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“…͑3.6͔͒ the value of 0.4717ϫ10 15 s Ϫ1 for the processes where one of the outermost O 1 's is moved away from the oxygen chain. This is the value obtained from the reorientation experiments for the well-dispersed oxygen by Stavola et al 33 In all other dissociation and restructuring processes, the common value 0.8772ϫ10 12 prefactors A m ka used in our kinetic model are summarized in Table I. Although the probability of the ''non-head-on'' collisions ͑leading to branched structures͒ is significantly larger than that of the ''head-on'' ones, the restructuring reactions toward the ͑straight͒ O chains keep the concentrations of the branched structures relatively small.…”

Section: Parametrization Of the Kinetic Modelmentioning

confidence: 99%

Simulation of the kinetics of oxygen complexes in crystalline silicon

2002

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The formation kinetics of thermal double donors ͑TDD's͒ is studied by a general kinetic model with parameters based on accurate ab initio total-energy calculations. The kinetic model includes all relevant association, dissociation, and restructuring processes. The simulated kinetics agrees qualitatively and in most cases quantitatively with the experimentally found consecutive kinetics of TDD's. It also supports our earlier assignments of the ring-type oxygen chains to TDD's ͓Pesola et al., Phys. Rev. Lett. 84, 5343 ͑2000͔͒. We demonstrate with the kinetic model that the most common assumption that only the O 2 dimer acts as a fast diffusing species would lead to an unrealistic steady increase of the concentration of O 3 . The neglect of restructuring processes leads to an anomalous increase of oxygen dimers and negligible concentrations of TDD's. The capture of interstitial oxygens by diffusing oxygen chains and the escaping of interstitial oxygens from the chains fully dominate the formation kinetics.

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“…2). The activation energy for diffusion is well established experimentally: 2.53 eV in the 270-700 8C range [26]. In a theoretical calculation at 0 K, one should expect a somewhat higher value.…”

mentioning

confidence: 96%

Accurate gap levels and their role in the reliability of other calculated defect properties

Deák

Gali

Aradi

et al. 2011

Physica Status Solidi (b)

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The functionality of semiconductors and insulators depends mainly on defects which modify the electronic, optical, and magnetic spectra through their gap levels. Accurate calculation of the latter is not only important for the experimental identification of the defect, but influences also the accuracy of other calculated defect properties, and is the most difficult challenge for defect theory. The electron self-interaction error in the standard implementations of ab initio density functional theory causes a severe underestimation of the band gap, leading to a corresponding uncertainty in the defect level positions in it. This is a widely known problem which is usually dealt with by a posteriori corrections. A wide range of corrections schemes are used, ranging from ad hoc scaling or shifting, through procedures of limited validity (like the scissor operator or various alignment schemes), to more rigorous quasiparticle corrections based on many-body perturbation theory. We will demonstrate in this paper that consequences of the gap error must to be taken into account in the total energy, and simply correcting the band energy with the gap level shifts is of limited applicability. Therefore, the self-consistent determination of the total energy, free of the gap-error, is preferred. We will show that semi-empirical screened hybrid functionals can successfully be used for this purpose.

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Diffusivity of oxygen in silicon at the donor formation temperature

Cited by 216 publications

References 11 publications

The martensitic transformation in silicon—III. comparison with other work

The martensitic transformation in silicon—III. comparison with other work

Simulation of the kinetics of oxygen complexes in crystalline silicon

Accurate gap levels and their role in the reliability of other calculated defect properties

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