Abstract
A method is described for multiscale modeling of a quantum dot in a semiconductor solid containing a free surface. The method is based upon the use of lattice-statics and continuum Green’s functions integrated with classical molecular dynamics. It fully accounts for the nonlinear discrete lattice effects inside and close to the quantum dot, discrete lattice structure of the host solid near the quantum dot and reduces asymptotically to the macroscopic continuum model near the free surface. Our method can model a large crystallite containing, for example, a million atoms without excessive CPU effort and it connects nanoscales seamlessly to macroscales. The method relates the physical processes such as lattice distortion at the atomistic level to measurable macroscopic parameters such as strains at a free surface in the solid. The method is applied to calculate the lattice distortion around a Ge quantum dot in Si. Preliminary numerical results are reported.
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Tewary, V.K., Read, D.T. (2006). Multiscale Modeling of a Germanium Quantum Dot in Silicon. In: Chuang, T.J., Anderson, P.M., Wu, M.K., Hsieh, S. (eds) Nanomechanics of Materials and Structures. Springer, Dordrecht. https://doi.org/10.1007/1-4020-3951-4_9
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DOI: https://doi.org/10.1007/1-4020-3951-4_9
Publisher Name: Springer, Dordrecht
Print ISBN: 978-1-4020-3950-8
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