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

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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.

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Authors and Affiliations

  1. EPIR Technologies, Inc., Bolingbrook, IL, USA

    Zhenli Zhang, Alok Chatterjee & Christoph Grein

  2. U.S. Army Research Laboratory, Aberdeen Proving Ground, Aberdeen, MD, USA

    Anthony J. Ciani & Peter W. Chung

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  1. Zhenli Zhang
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  2. Alok Chatterjee
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  3. Christoph Grein
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Correspondence to Zhenli Zhang.

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The research reported in this document/presentation was performed in connection with contract/instrument W911QX-07-C-0092 with the U.S. Army Research Laboratory. The views and conclusions contained in this document/presentation are those of the authors and should not be interpreted as presenting the official policies or position, either expressed or implied, of the U.S. Army Research Laboratory or the U.S. Government unless so designated by other authorized documents. Citation of manufacturer’s or trade names does not constitute an official endorsement or approval of the use thereof. The U.S. Government is authorized to reproduce and distribute reprints for Government purposes notwithstanding any copyright notation hereon.

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Zhang, Z., Chatterjee, A., Grein, C. et al. Molecular Dynamics Simulation of MBE Growth of CdTe/ZnTe/Si. J. Electron. Mater. 40, 109–121 (2011). https://doi.org/10.1007/s11664-010-1422-y

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