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MiS Preprint
27/2001
Surface structure of ferroelastic domain walls: a continuum elasticity approach
Sergio Conti and Ekhard Salje
Abstract
We present a model based on continuum elasticity and energy minimization for the study of ferroelastic domain walls close to a surface. We focus on walls orthogonal to the surface, and predict a double-peak structure in the surface values of the squared elastic strain, which is directly related to the chemical reactivity. We also compute the height profile, which can be measured, in principle, e.g. with AFM, and the strain distribution in the bulk. Our results are in good agreement with previous atomistic simulations, which had required much bigger computational effort. Our approach is also used to explore the effect of the cubic anisotropy (C12/C11) on the surface structure of the intersection between the twin wall and the crystal surface.
