Displacement field and elastic constants in nonideal crystals

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Physical review B. 2010, 81(13), 134110. Available under: doi: 10.1103/PhysRevB.81.134110
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In this work a periodic crystal with point defects is described in the framework of linear-response theory for broken-symmetry states using correlation functions and Zwanzig-Mori equations. The main results are microscopic expressions for the elastic constants and for the coarse-grained density, point-defect density, and displacement field, which are valid in real crystals, where vacancies and interstitials are present. The coarse-grained density field differs from the small wave-vector limit of the microscopic density. In the long-wavelength limit, we recover the phenomenological description of elasticity theory including the defect density.

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ISO 690WALZ, Christof, Matthias FUCHS, 2010. Displacement field and elastic constants in nonideal crystals. In: Physical review B. 2010, 81(13), 134110. Available under: doi: 10.1103/PhysRevB.81.134110
BibTex
@article{Walz2010Displ-4794,
  year={2010},
  doi={10.1103/PhysRevB.81.134110},
  title={Displacement field and elastic constants in nonideal crystals},
  number={13},
  volume={81},
  journal={Physical review B},
  author={Walz, Christof and Fuchs, Matthias},
  note={Article Number: 134110}
}
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    <dcterms:abstract xml:lang="eng">In this work a periodic crystal with point defects is described in the framework of linear-response theory for broken-symmetry states using correlation functions and Zwanzig-Mori equations. The main results are microscopic expressions for the elastic constants and for the coarse-grained density, point-defect density, and displacement field, which are valid in real crystals, where vacancies and interstitials are present. The coarse-grained density field differs from the small wave-vector limit of the microscopic density. In the long-wavelength limit, we recover the phenomenological description of elasticity theory including the defect density.</dcterms:abstract>
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