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We have decided to discontinue the publication of preprints on our preprint server as of 1 March 2024. The publication culture within mathematics has changed so much due to the rise of repositories such as ArXiV (www.arxiv.org) that we are encouraging all institute members to make their preprints available there. An institute's repository in its previous form is, therefore, unnecessary. The preprints published to date will remain available here, but we will not add any new preprints here.

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.

Received:
May 19, 2001
Published:
May 19, 2001

Related publications

inJournal
2001 Repository Open Access
Sergio Conti and Ekhard K. H. Salje

Surface structure of ferroelastic domain walls: a continuum elasticity approach

In: Journal of physics / Condensed matter, 13 (2001) 39, L847-L854