Tunability of the dielectric response of epitaxially strained SrTiO3 from first principles

  title={Tunability of the dielectric response of epitaxially strained SrTiO3 from first principles},
  author={Armin H. Antons and Jeffrey B. Neaton and K. M. Rabe and David Vanderbilt Department of Physics and Astronomy and Rutgers University and Nj and Iff Juelich and H Germany and Lbnl and Berkeley and Ca},
  journal={Physical Review B},
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 approximation. Motivated by recent experiments, the structure, zone-center phonons, and dielectric properties with and without an external electric field are evaluated for several misfit strains within +-3% of the calculated cubic lattice parameter. In these calculations, the in-plane lattice parameters are fixed, and all… 

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