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Potential Energy Calculation of two Structures of the Σ=11 <011> Tilt Grain Boundary in Silicon and Germanium
Published online by Cambridge University Press: 10 February 2011
Abstract
Available experimental data concerning two possible atomic structures (A and B) of the Σ=11 <011> tilt grain boundary in silicon and germanium are analyzed. Previous empirical calculations concerning low and high temperature stability of these structures are summarized and criticized. New calculations using the semi-empirical tight-binding method (SETBM) are presented for low temperature stability. The tight-binding parameters of Mercer and Chou give results in agreement with experimental observations by high resolution electron microscopy.
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- Copyright © Materials Research Society 1998