Monte Carlo low pressure deposition profile simulations

Abstract

The models and algorithms used for simulation of chemical vapor deposition (CVD) profiles in Stanford profile emulator for etching and deposition in integrated circuit engineering are described. In the CVD simulation direct deposition, re-emission, and surface diffusion are considered as the mechanisms for near surface mass transport. The re-emission process is characterized by a single surface reaction coefficient (or sticking coefficient) which condenses the complex physico-chemical mechanisms (physisorption, chemisorption, desorption) in a single probability that defines the final attachment of a reactive to a surface. For desorption process, different desorption models can be selected (cosine re-emission, specular reflection). Surface diffusion is modeled with a gaussian distribution function characterized by the diffusion length. A Monte Carlo approach is used to determine the deposition rates in arbitrary topologies and a string algorithm is used for the evolution of the surface. Iteration between them allows taking into account self-shadowing effects. Comparisons of experimental versus simulation results for SiO2 trench filling, that can be characterized by direct deposition and re-emission with a pure cosine desorption law and no surface diffusion are included.

Isobutyl Silane Precursors for SiCH Low-k Cap Layer beyond the 22 nm Node: Analysis of Film Structure for Compatibility of Lower k-value and High Barrier Properties

“…Monte Carlo simulation was used to analyze the population ratio of ionic/radical species and the sticking probability of ionic and radical species. [10][11][12] We variously assumed the population and sticking probability of each species and determined these values to reconstruct the observed profile in our Monte Carlo simulation. We also investigated the relationship between the structure of SiCH formed from DiBDMS and the reaction mechanism.…”

Multiscale computational fluid dynamics modeling of thermal atomic layer deposition with application to chamber design

“…Ab initio MD models monitor the physical movement of all atoms and molecules in the system, which is computationally impossible and ill-conditioned for the industrial-scale systems [22]. On the contrary, the kMC method tracks a single event according to its probability distribution at a given time, dramatically improving the computational efficiency while preserving the model validity [23,24]. Many groups have demonstrated the possibility of incorporating kMC in ALD simulations.…”

“…As mentioned in the Introduction, a first-principles Molecular Dynamic simulation is too computationally demanding to be feasible for the scale of system discussed in this work [22][23][24].…”

Shape-based optimal estimation and design of curve evolution processes with application to plasma etching

“…Theirs is by no means the only work in this area. Application of a variety of techniques to simulation of thin film patterning may be found in [15], [48], [21], [23], [28], [27], [33], [34], [40], and [45]. Further comparison of the various methods is beyond the scope of this paper.…”