Atomic scale lattice distortions and domain wall profiles

Details Atomic scale lattice distortions and domain wall profiles Atomic scale lattice distortions and domain wall profiles

2002-07-09

arxiv.org/abs/cond-mat/0207224v3

Phys. Rev. B 68, 092101 (2003)

Physics

Condensed Matter

Materials Science

6 figures

Scientific paper

10.1103/PhysRevB.68.092101

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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