A combined fluid dynamic and 3D kinetic Monte Carlo investigation of the selective deposition of GaAs and InP

• Published in: Journal of crystal growth 2004-12, Vol.272 (1), p.52-58
• Main Authors: Rondanini, Maurizio, Cavallotti, Carlo, Moscatelli, Davide, Masi, Maurizio, Carrà, Sergio
• Format: Article
• Language: English
• Subjects: A1. Growth model; A1. Surface structures; A3. Metalorganic vapor phase epitaxy; A3. Selective epitaxy; B2. Semiconducting III–V material; Chemical vapor deposition (including plasma-enhanced cvd, mocvd, etc.); Cross-disciplinary physics: materials science; rheology; Exact sciences and technology; Materials science; Methods of deposition of films and coatings; film growth and epitaxy; Physics; Theory and models of film growth
• ISSN: 0022-0248; 1873-5002
• DOI: 10.1016/j.jcrysgro.2004.08.051

The selective deposition of GaAs and InP was investigated using a multiscale approach. Local gas phase composition, temperature, and flow fields were calculated solving mass, energy and momentum conservation equations at the reactor scale with 2D FEM. The growth on patterned wafers was described with a 2D microscale model that includes adsorption and diffusion on mask and feature. Reactor and microscopic models are linked consistently imposing the continuity of gas phase fluxes. The morphology evolution was investigated with 3D KMC using gas phase fluxes calculated with the microscopic scale model. The model is generally in good agreement with experimental data except for high mask/feature ratios, in which case the growth rate is overestimated both for GaAs and InP. We attribute the overestimation to the diffusion of molecular species adsorbed on (1 1 1) facets from feature to mask.