Emergent room temperature polar phase in CaTiO3 nanoparticles and single crystals | Zendy

M. O. Ramı́rez | Zendy; Tom T. A. Lummen | Zendy; I. Carrasco | Zendy; Eftihia Barnes | Zendy; Ulrich Aschauer | Zendy; Dagmara Stefańska | Zendy; Arnab Sen Gupta | Zendy; C. de las Heras | Zendy; Hirofumi Akamatsu | Zendy; Martin V. Holt | Zendy; Pablo Molina | Zendy; Andrew Barnes | Zendy; Ryan Haislmaier | Zendy; P.J. Dereń | Zendy; C. Prieto | Zendy; L. E. Bausá | Zendy; Nicola A. Spaldin | Zendy; Venkatraman Gopalan | Zendy

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Emergent room temperature polar phase in CaTiO3 nanoparticles and single crystals

Author(s) -

M. O. Ramı́rez,

Tom T. A. Lummen,

I. Carrasco,

Eftihia Barnes,

Ulrich Aschauer,

Dagmara Stefańska,

Arnab Sen Gupta,

C. de las Heras,

Hirofumi Akamatsu,

Martin V. Holt,

Pablo Molina,

Andrew Barnes,

Ryan Haislmaier,

P.J. Dereń,

C. Prieto,

L. E. Bausá,

Nicola A. Spaldin,

Venkatraman Gopalan

Publication year - 2019

Publication title -

apl materials

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.571

H-Index - 60

ISSN - 2166-532X

DOI - 10.1063/1.5078706

Subject(s) - materials science , polar , ferroelectricity , polarization (electrochemistry) , chemical physics , monoclinic crystal system , phase transition , phase (matter) , condensed matter physics , scaling , density functional theory , crystallography , crystal structure , dielectric , chemistry , optoelectronics , physics , computational chemistry , geometry , organic chemistry , mathematics , astronomy

Polar instabilities are well known to be suppressed on scaling materials down to the nanoscale, when the electrostatic energy increase at surfaces exceeds lowering of the bulk polarization energy. Surprisingly, here we report an emergent low symmetry polar phase arising in nanoscale powders of CaTiO3, the original mineral named perovskite discovered in 1839 and considered nominally nonpolar at any finite temperature in the bulk. Using nonlinear optics and spectroscopy, X-ray diffraction, and microscopy studies, we discover a well-defined polar to non-polar transition at a TC = 350 K in these powders. The same polar phase is also seen as a surface layer in bulk CaTiO3 single crystals, forming striking domains with in-plane polarization orientations. Density functional theory reveals that oxygen octahedral distortions in the surface layer lead to the stabilization of the observed monoclinic polar phase. These results reveal new ways of overcoming the scaling limits to polarization in perovskites.Polar instabilities are well known to be suppressed on scaling materials down to the nanoscale, when the electrostatic energy increase at surfaces exceeds lowering of the bulk polarization energy. Surprisingly, here we report an emergent low symmetry polar phase arising in nanoscale powders of CaTiO3, the original mineral named perovskite discovered in 1839 and considered nominally nonpolar at any finite temperature in the bulk. Using nonlinear optics and spectroscopy, X-ray diffraction, and microscopy studies, we discover a well-defined polar to non-polar transition at a TC = 350 K in these powders. The same polar phase is also seen as a surface layer in bulk CaTiO3 single crystals, forming striking domains with in-plane polarization orientations. Density functional theory reveals that oxygen octahedral distortions in the surface layer lead to the stabilization of the observed monoclinic polar phase. These results reveal new ways of overcoming the scaling limits to polarization in perovskites.

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