  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 remaining structural parameters are
permitted to relax. The presence of an external bias is treated approximately
by applying a force to each ion proportional to the electric field. After
obtaining zero-field ground state structures for various strains, the
zone-center phonon frequencies and Born effective charges are computed,
yielding the zero-field dielectric response. The dielectric response at finite
electric field bias is obtained by computing the field dependence of the
structure and polarization using an approximate technique. The results are
compared with recent experiments and a previous phenomenological theory. The
tunability is found to be strongly dependent on the in-plane lattice parameter,
showing markedly different behavior for tensile and compressive strains. Our
results are expected to be of use for isolating the role of strain in the
tunability of real ultrathin epitaxial films.
