Molecular Dynamics Simulation of MBE Growth of CdTe/ZnTe/Si

Authors: Zhang, Zhenli¹; Chatterjee, Alok²; Grein, Christoph²; Ciani, Anthony³; Chung, Peter³

Source: Journal of Electronic Materials, Volume 40, Number 2, February 2011 , pp. 109-121(13)

Publisher: Springer

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Abstract:

We simulate in three dimensions molecular beam epitaxial (MBE) growth of CdTe/ZnTe/Si using classical molecular dynamics. Atomic interactions are simulated with Stillinger-Weber potentials, whose parameters are obtained by fitting to experimental data or density function theory-calculated distortion energies of the component crystals. The effects of substrate temperature and atomic species flux ratios on epilayer morphology are investigated. The agreement between simulations and experiments suggests that this model has reasonable ability to predict the microstructures of CdTe/ZnTe/Si grown by MBE.

Keywords: CdTe/ZnTe/Si; MBE; molecular dynamics; simulations

Document Type: Research article

DOI: http://dx.doi.org/10.1007/s11664-010-1422-y

Affiliations: 1: EPIR Technologies, Inc., Bolingbrook, IL, USA, Email: zlzhang@epir.com 2: EPIR Technologies, Inc., Bolingbrook, IL, USA 3: U.S. Army Research Laboratory, Aberdeen Proving Ground, Aberdeen, MD, USA

Publication date: 2011-02-01