English

Atomic scale lattice distortions and domain wall profiles

Materials Science 2009-11-07 v3 Strongly Correlated Electrons

Abstract

We present an atomic scale theory of lattice distortions using strain related variables and their constraint equations. Our approach connects constrained {\it atomic length} scale variations to {\it continuum} elasticity and describes elasticity at several length scales. We apply the approach to a two-dimensional square lattice with a monatomic basis, and find the elastic deformations and hierarchical atomic relaxations in the vicinity of a domain wall between two different homogeneous strain states. We clarify the microscopic origin of gradient terms, some of which are included phenomenologically in Ginzburg-Landau theory, by showing that they are anisotropic.

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Cite

@article{arxiv.cond-mat/0207224,
  title  = {Atomic scale lattice distortions and domain wall profiles},
  author = {K. H. Ahn and T. Lookman and A. Saxena and A. R. Bishop},
  journal= {arXiv preprint arXiv:cond-mat/0207224},
  year   = {2009}
}

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6 figures