Lourdes Pelaz

Ion-beam-induced amorphization and recrystallization in silicon

Ion-beam-induced amorphization in Si has attracted significant interest since the beginning of the use of ion implantation for the fabrication of Si devices. A number of theoretical calculations and experiments were designed to provide a better understanding of the mechanisms behind the crystal-to-amorphous transition in Si. Nowadays, a renewed interest in the modeling of amorphization mechanisms at atomic level has arisen due to the use of preamorphizing implants and high dopant implantation doses for the fabrication of nanometric-scale Si devices. In this paper we will describe the most significant experimental observations related to the ion-beam-induced amorphization in Si and the models that have been developed to describe the process. Amorphous Si formation by ion implantation is the result of a critical balance between the damage generation and its annihilation. Implantation cascades generate different damage configurations going from isolated point defects and point defect clusters in essentially ...

B diffusion and clustering in ion implanted Si: The role of B cluster precursors

A comprehensive model for B implantation, diffusion and clustering is presented. The model, implemented in a Monte Carlo atomistic simulator, successfully explains and predicts the behavior of B under a wide variety of implantation and annealing conditions by invoking the formation of immobile precursors of B clusters, prior to the onset of transient enhanced diffusion. The model also includes the usual mechanisms of Si self-interstitial diffusion and B kick-out. The immobile B cluster precursors, such as BI2 (a B atom with two Si self-interstitials) form during implantation or in the very early stages of the annealing, when the Si interstitial supersaturation is very high. They then act as nucleation centers for the formation of B-rich clusters during annealing. The B-rich clusters constitute the electrically inactive B component, so that the clustering process greatly affects both junction depth and doping level in high-dose implants.

B cluster formation and dissolution in Si: A scenario based on atomistic modeling

A comprehensive model of the nucleation, growth, and dissolution of B clusters in Si is presented. We analyze the activation of B in implanted Si on the basis of detailed interactions between B and defects in Si. In the model, the nucleation of B clusters requires a high interstitial supersaturation, which occurs in the damaged region during implantation and at the early stages of the postimplant anneal. B clusters grow by adding interstitial B to preexisting B clusters, resulting in B complexes with a high interstitial content. As the annealing proceeds and the Si interstitial supersaturation decreases, the B clusters emit Si interstitials, leaving small stable B complexes with low interstitial content. The total dissolution of B clusters involves thermally generated Si interstitials, and it is only achieved at very high temperatures or long anneal times.

Reduction of transient diffusion from 1–5 keV Si+ ion implantation due to surface annihilation of interstitials

The reduction of transient enhanced diffusion (TED) with reduced implantation energy has been investigated and quantified. A fixed dose of 1×1014 cm−2 Si+ was implanted at energies ranging from 0.5 to 20 keV into boron doping superlattices and enhanced diffusion of the buried boron marker layers was measured for anneals at 810, 950, and 1050 °C. A linearly decreasing dependence of diffusivity enhancement on decreasing Si+ ion range is observed at all temperatures, extrapolating to ∼1 for 0 keV. This is consistent with our expectation that at zero implantation energy there would be no excess interstitials from the implantation and hence no TED. Monte Carlo modeling and continuum simulations are used to fit the experimental data. The results are consistent with a surface recombination length for interstitials of <10 nm. The data presented here demonstrate that in the range of annealing temperatures of interest for p-n junction formation, TED is reduced at smaller ion implantation energies and that this is d...

MECHANISM FOR THE REDUCTION OF INTERSTITIAL SUPERSATURATIONS IN MEV-IMPLANTED SILICON

We demonstrate that the excess vacancies induced by a 1 MeV Si implant reduce the excess interstitials generated by a 40 keV Si implant during thermal annealing when these two implants are superimposed in silicon. It is shown that this previously observed reduction is dominated by vacancy annihilation and not by gettering to deeper interstitial-type extended defects. Interstitial supersaturations were measured using B doping superlattices (DSL) grown on a silicon-on-insulator (SOI) substrate. Implanting MeV and keV Si ions into the B DSL/SOI structure eliminated the B transient enhanced diffusion normally associated with the keV implant. The buried SiO2 layer in the SOI substrate isolates the deep interstitials-type extended defects of the MeV implant, thereby eliminating the possibility that these defects getter the interstitial excess induced by the keV Si implant.

Atomistic modeling of point and extended defects in crystalline materials

Atomistic process modeling, a kinetic Monte Carlo simulation technique, has the interest of being both conceptually simple and extremely powerful. Instead of reaction equations it is based on the definition of the interactions between individual atoms and defects. Those interactions can be derived either directly from molecular dynamics or first principles calculations, or from experiments. The limit to its use is set by the size dimensions it can handle, but the level of performance achieved by even workstations and PCs, together with the design of efficient simulation schemes, has revealed it as a good candidate for building the next generation of process simulators, as an extension of existing continuum modeling codes into the deep submicron size regime. Over the last few years it has provided a unique insight into the atomistic mechanisms of defect formation and dopant diffusion during ion implantation and annealing in silicon. Object-oriented programming can be very helpful in cutting software development time, but care has to be taken not to degrade performance in the critical inner calculation loops. We discuss these techniques and results with the help of a fast object-oriented atomistic simulator recently developed.

Atomistic modeling of amorphization and recrystallization in silicon

We propose an atomistic model to describe the evolution of the damage generated by irradiation in Si, going from isolated point defects to the formation of continuous amorphous layers. The elementary units used to reproduce the defective zones are Si interstitials, vacancies and the bond defect, which is a local distortion of the Si lattice without any excess or deficit of atoms. More complex defect structures can be formed as these elementary units cluster. The amorphous pockets are treated as agglomerates of bond defects characterized by their local coordination. The model is able to reproduce the abrupt regime in the crystal-amorphous transition in Si and the epitaxial recrystallization upon annealing as observed in the experiments. The model extends the atomistic kinetic Monte Carlo simulation technique to high implant doses, adequately describing the amorphization and regrowth in Si.

Activation and deactivation of implanted B in Si

The temporal evolution of the electrically active B fraction has been measured experimentally on B implanted Si, and calculated using atomistic simulation. An implant of 40 keV, 2×1014 cm−2 B was examined during a postimplant anneal at 800 °C. The results show a low B activation (∼25%) for short anneal times (⩽10 s) that slowly increases with time (up to 40% at 1000 s), in agreement with the model proposed by Pelaz et al. [Appl. Phys. Lett. 74, 3657 (1999)]. Based on the results, we conclude that B clustering occurs in the presence of a high interstitial concentration, in the very early stages of the anneal. For this reason, B clustering is not avoided by a short or low-temperature anneal. The total dissolution of B clusters involves thermally generated Si interstitials, and therefore, requires long- or high-temperature anneals.

Modeling of the ion mass effect on transient enhanced diffusion: Deviation from the “+1” model

The influence of ion mass on transient enhanced diffusion (TED) and defect evolution after ion implantation in Si has been studied by atomistic simulation and compared with experiments. We have analyzed the TED induced by B, P, and As implants with equal range and energy: TED increases with ion mass for equal range implants, and species of different mass but equal energy cause approximately the same amount of TED. Heavier ions produce a larger redistribution of the Si atoms in the crystal, leading to a larger excess of interstitials deeper in the bulk and an excess of vacancies closer to the surface. For high-mass ions more interstitials escape recombination with vacancies, are stored in clusters, and then contribute to TED. TED can be described in terms of an effective “+n” or “plus factor” that increases with the implanted ion mass.

Boron diffusion in amorphous silicon and the role of fluorine

We demonstrate that boron diffuses at high concentrations during low-temperature thermal annealing in amorphous silicon pre-amorphized by germanium ion implantation. For a typical boron ultrashallow junction doping profile, concentrations as high as 2×1020 cm−3 appear to be highly mobile at 500 and 600 °C in the amorphous silicon region before recrystallization. In crystalline silicon at the same temperatures the mobile boron concentration is at least two orders of magnitude lower. We also show that boron diffusivity in the amorphous region is similar with and without fluorine. The role of fluorine is not to enhance boron diffusivity, but to dramatically slow down the recrystallization rate, allowing the boron profile to be mobile up to the concentration of 2×1020 cm−3 for a longer time.