2015/07/20 by Anna Grünebohm, Madhura Marathe, Claude Ederer · 1 citation
Physics and Astronomy · #cond-mat.mtrl-sci
paper · pdf · doi:10.1063/1.4930306
published as Appl. Phys. Lett 107 (10), 102901, 2015 · 5 pages, 3 figures
arxiv created 2015/07/20 · arxiv updated 2016/09/30
We revisit the phase diagram of BaTiO3 under biaxial strain using a first principles-based effective Hamiltonian approach. We show that, in addition to the tetragonal (c), quasi-rhombohedral (r), and quasi-orthorhombic (aa) ferroelectric phases, that have been discussed previously, there are temperature and strain regions, in particular under tensile strain, where the system decomposes into multi-domain structures. In such cases, the strained system, at least on a local level, recovers the same phase sequence as the unclamped bulk material. Furthermore, we extend these results from the case of "uniform" biaxial strain to the situation where the two in-plane lattice constants are strained differently and show that similar considerations apply in this case.