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cond-mat.mtrl-sci2004
Metric Tensor Formulation of Strain in Density-Functional Perturbation Theory
D. R. Hamann, Xifan Wu, Karin M. Rabe +1
The direct calculation of the elastic and piezoelectric tensors of solids can be accomplished by treating homogeneous strain within the framework of density-functional perturbation…
cond-mat.mtrl-sci2004
Tunability of the dielectric response of epitaxially strained SrTiO3 from first principles
Armin Antons, J. B. Neaton, Karin M. Rabe +1
The effect of in-plane strain on the nonlinear dielectric properties of SrTiO3 epitaxial thin films is calculated using density-functional theory within the local-density approxima…