TY - JOUR
T1 - A -site-driven ferroelectricity in strained ferromagnetic La2 NiMnO6 thin films
AU - Takahashi, R.
AU - Ohkubo, I.
AU - Yamauchi, K.
AU - Kitamura, M.
AU - Sakurai, Y.
AU - Oshima, M.
AU - Oguchi, T.
AU - Cho, Y.
AU - Lippmaa, M.
N1 - Publisher Copyright:
© 2015 American Physical Society.
PY - 2015/4/20
Y1 - 2015/4/20
N2 - We report on theoretical and experimental investigation of A-site-driven ferroelectricity in ferromagnetic La2NiMnO6 thin films grown on SrTiO3 substrates. Structural analysis and density-functional theory calculations show that epitaxial strain stretches the rhombohedral La2NiMnO6 crystal lattice along the [111]cubic direction, triggering a displacement of the A-site La ions in the double-perovskite lattice. The lattice distortion and the A-site displacements stabilize a ferroelectric polar state in ferromagnetic La2NiMnO6 crystals. The ferroelectric state only appears in the rhombohedral La2NiMnO6 phase, where MnO6 and NiO6 octahedral tilting is inhibited by the threefold crystal symmetry. Electron localization mapping showed that covalent bonding with oxygen and 6s orbital lone-pair formation are negligible in this material.
AB - We report on theoretical and experimental investigation of A-site-driven ferroelectricity in ferromagnetic La2NiMnO6 thin films grown on SrTiO3 substrates. Structural analysis and density-functional theory calculations show that epitaxial strain stretches the rhombohedral La2NiMnO6 crystal lattice along the [111]cubic direction, triggering a displacement of the A-site La ions in the double-perovskite lattice. The lattice distortion and the A-site displacements stabilize a ferroelectric polar state in ferromagnetic La2NiMnO6 crystals. The ferroelectric state only appears in the rhombohedral La2NiMnO6 phase, where MnO6 and NiO6 octahedral tilting is inhibited by the threefold crystal symmetry. Electron localization mapping showed that covalent bonding with oxygen and 6s orbital lone-pair formation are negligible in this material.
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U2 - 10.1103/PhysRevB.91.134107
DO - 10.1103/PhysRevB.91.134107
M3 - Article
AN - SCOPUS:84946166641
SN - 1098-0121
VL - 91
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 13
M1 - 134107
ER -