English

Epitaxially strained SnTiO$_{3}$ at finite temperatures

Materials Science 2018-11-20 v3

Abstract

Combining effective Hamiltonian and direct abab initioinitio computation, we obtain the phase diagram of SnTiO3_{3} with respect to epitaxial strain and temperature, demonstrating the complex features of the phase diagram and providing insight into the epitaxially strained SnTiO3_{3}, a presumably simple perovskite. In the phase diagram, two triple points are found, which may be exploited to to achieve high-performance piezoelectric effects. On the other hand, despite the inclusion of the degree of freedoms related to oxygen octahedron tilting, it is found that ferroelectric displacements dominate the structural phases over the whole strain misfit range. Finally, it is shown that the SnTiO3_{3} can be converted from hard to soft ferroelectrics with epitaxial strain.

Keywords

Cite

@article{arxiv.1709.00888,
  title  = {Epitaxially strained SnTiO$_{3}$ at finite temperatures},
  author = {D. Wang and L. Liu and J. Liu and N. Zhang and X. Wei},
  journal= {arXiv preprint arXiv:1709.00888},
  year   = {2018}
}

Comments

12 pages, 4 figures

R2 v1 2026-06-22T21:32:15.336Z