Rate equation analysis of hydrogen uptake on Si (100) surfaces

Inanaga, S.; Rahman, F.; Khanom, Fouzia; Namiki, A.

doi:10.1116/1.2013320

Cited by 16 publications

(7 citation statements)

References 49 publications

(77 reference statements)

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“…It can also be argued that no measurable change in the surface defect density from atomic H dosing would be detectable at all at treatment temperatures of 120 °C, even with higher time resolution. First of all, abstraction and passivation of H radicals on the film surface are first-order with respect to the incident flux at these temperatures [17,20], leading to an H coverage (and corresponding defect coverage) which is independent of flux. In this case, a fast passivation mechanism will maintain the surface H coverage at the (over-)saturated level prior to dosing [17,20].…”

Section: Surface Processesmentioning

confidence: 99%

“…First of all, abstraction and passivation of H radicals on the film surface are first-order with respect to the incident flux at these temperatures [17,20], leading to an H coverage (and corresponding defect coverage) which is independent of flux. In this case, a fast passivation mechanism will maintain the surface H coverage at the (over-)saturated level prior to dosing [17,20]. This mechanism is driven either by a large reservoir of physisorbed atomic H at the surface, such as in the hot atom Kisliuk model employed by…”

Section: Surface Processesmentioning

confidence: 99%

“…Flowers et al [17] and later Inanaga et al [20] showed a quasi equilibrium model of surface species should be used to explain the uptake kinetics more precisely. In principle, the experiments on c-Si can provide qualitative understanding of the kinetics of hydrogen interacting with a-Si:H. However, the amorphous nature of the Si thin films complicates the interpretation of reaction mechanisms considerably.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Atomic hydrogen induced defect kinetics in amorphous silicon

Peeters

Zheng

Aarts

et al. 2017

Journal of Vacuum Science &Amp; Technology A: Vacuum, Surfaces, and Films

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Abstract:Near-IR Evanescent-Wave Cavity Ring-Down Spectroscopy (EW-CRDS) has been applied to study the defect evolution in an a-Si:H thin film subjected to a directed beam of atomic H with a flux of (0.4-2) x 10 14 cm -2 s -1 . To this end a 42 ± 2 nm a-Si:H film was grown on the Total Internal Reflection (TIR) surface of a folded miniature optical resonator by Hot-Wire Chemical Vapor Deposition (HW-CVD). A fully reversible defect creation process is observed, with a non-linear dependence on H flux, with a time resolution of 33 ms and a relative sensitivity of 10 -7 . Through the use of polarizing optics the CRDS signal was split into s-and p-polarized components, which, combined with E-2 field calculations, provides depth sensitivity. Extensive kinetic modeling of the observed process is used to determine rate constants for the hydrogen-material interactions and defect formation in a-Si:H, as well as revealing a high diffusion coefficient for atomic H on the order of 10 -11 cm 2 s -1 . A novel reaction pathway is proposed whereby H inserted into weak Si-Si bonds recombines with mobile H, resulting in a limited penetration depth for atomic H from the gas-phase on the order of 10 -15 nm.3

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Section: Surface Processesmentioning

confidence: 99%

Section: Surface Processesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Atomic hydrogen induced defect kinetics in amorphous silicon

Peeters

Zheng

Aarts

et al. 2017

Journal of Vacuum Science &Amp; Technology A: Vacuum, Surfaces, and Films

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“…The reactions considered in the kinetic model that involve the surface species defined above are summarized in Table 5. The reported kinetic constants were taken from the work of Inanaga et al 110 for what concerns the hydrogen surface kinetics, and the recent publications of Montalenti and co‐workers 54, 63–65 for the interaction between SiH x gas phase species and the hydrogenated Si surface. Kinetic constants are reported as sticking coefficients for reactions involving gas phase species and as unimolecular or bi‐molecular surface reactions in the other cases.…”

Section: Multiscale Simulation Of Cvd Processesmentioning

confidence: 99%

Challenges of introducing quantitative elementary reactions in multiscale models of thin film deposition

Barbato

Cavallotti

2010

phys. stat. sol. (b)

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The implementation of detailed surface kinetic mechanisms describing the thin film growth dynamics into models of chemical vapor deposition (CVD) reactors has been a challenge for many years. In this article we review the literature concerning the study of the dynamics of the Si(100)2×1 surface and introduce a multiscale model that captures the main features of its reactivity. The model combines the results of ab initio calculations with an atomistic description of the Si surface, obtained using a 3D-kineticMonte Carlo (KMC)model that explicitly accounts for the 2×1 surface reconstruction and the formation and diffusion of Si dimers on a hydrogenated surface. At the atomistic scale, we determined pre-exponential factors and activation energies of hydrogen desorption reactions proceeding through the 2H, 3H, and 4H mechanisms. The calculated kinetic constants were embedded in the KMC model and used to simulate literature TPD experimental data. The simulations were used to fit the activation energies of hydrogen desorption reactions, which showed that DFT calculations performed with B3LYP functionals are likely to overestimate hydrogen desorption energies by up to 9 kcalmol^-1, which was confirmed by successive ab initio calculations. Two examples of the solution of the KMC model in conjunction with a reactor scale model are provided, in which the coupling was performed adopting both a hierarchic and a two-way coupling strategy.We found that in the plasma deposition of nanocrystalline silicon performed at low substrate temperatures the growth proceeds through a layer-by-layer mechanism on a surface almost completely covered by hydrogen. The application of the same model to the simulation of the thermal CVD of Si showed that at intermediate growth temperatures, when the hydrogen surface concentration is high, a new hydrogen desorption mechanism, in which Si adatoms play an important role, is active. © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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“…The instability of such a local (1 · 1) dideuteride phase accompanies recombinative desorption of a molecule to return to the (3 · 1) phase, leaving behind a dangling bond [15,16]. To understand detailed kinetic mechanism the O-induced D 2 desorption should be studied comparatively with the H-induced D 2 one [18].…”

Section: Introductionmentioning

confidence: 99%