Systematic {\em ab initio} study of the phase diagram of epitaxially strained SrTiO${}_3$

Chien-Hung Lin, Chih-Meng Huang, G. Y. Guo

We use density-functional theory with the local-density approximation to study the structural and ferroelectric properties of SrTiO${}_3$ under misfit strains. Both the antiferrodist…