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Multiscale modeling of point defects in strained silicon

Published

Author(s)

Vinod K. Tewary, B. Yang

Abstract

A multiscale Green's function method is described for modeling substitutional point defects and vacancies in strained silicon. The model seamlessly links the length scales from atomistic to macro. The model accounts for the discrete lattice effects, elastic anisotropy, nonlinear effects, and the presence of point defects as well as surfaces and interfaces in the solid. An effective force, called the Kanzaki force, is defined, which is a characteristic of the defect configuration. This force can be calculated and stored for later use, which makes the method numerically convenient for subsequent calculations. The Kanzaki force is used to calculate the dipole tensor that is a measure of the strength of the defects and can be directly used to calculate the strains from the familiar continuum Green's function. Numerical results are presented for the lattice distortion in half-space silicon due to a Ge impurity and the dipole tensors for various point defects (vacancy and substitutional germanium and carbon impurities) in two models of strained silicon. Calculated values of elastic constants are reported for strained silicon.
Conference Dates
December 16-19, 2007
Conference Location
Mumbai, IN
Conference Title
International Workshop on Physics of Solid State Devices

Keywords

elastic constants of strained silicon, multiscale Green?s function, point defects in strained silicon, strained silicon

Citation

Tewary, V. and Yang, B. (2007), Multiscale modeling of point defects in strained silicon, International Workshop on Physics of Solid State Devices, Mumbai, IN, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=50643 (Accessed April 11, 2021)
Created December 31, 2007, Updated January 27, 2020