Ab initio phase diagram of BaTiO3 under epitaxial strain revisited

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 temperat...

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Veröffentlicht in:	Applied physics letters 2015-09, Vol.107 (10)
Hauptverfasser:	Grünebohm, Anna, Marathe, Madhura, Ederer, Claude
Format:	Artikel
Sprache:	eng
Schlagworte:	Applied physics Barium titanates Ferroelectric materials Ferroelectricity First principles Lattice parameters Phase diagrams Tensile strain
Online-Zugang:	Volltext
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