Atomistic screening mechanism of ferroelectric surfaces: an in situ study of the polar phase in ultrathin BaTiO3 films exposed to H2O
| Autor: | Grégory Geneste, E. Ward Plummer, Sergei V. Kalinin, V. B. Nascimento, Brahim Dkhil, Junsoo Shin, John Rundgren, Arthur P. Baddorf |
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| Přispěvatelé: | The University of Tennessee [Knoxville], Oak Ridge National Laboratory [Oak Ridge] (ORNL), UT-Battelle, LLC, Louisiana State University (LSU), Laboratoire Structures, Propriétés et Modélisation des solides (SPMS), Institut de Chimie du CNRS (INC)-CentraleSupélec-Centre National de la Recherche Scientifique (CNRS), Royal Institute of Technology [Stockholm] (KTH ), Center for Nanophase Materials Sciences [Oak Ridge] (CNMS), UT-Battelle, LLC-UT-Battelle, LLC |
| Rok vydání: | 2009 |
| Předmět: |
In-situ experiments
Ultra-thin Materials science Ferroelectricity Polarization direction Screening mechanism Mineralogy Bioengineering Atomistic process 02 engineering and technology 01 natural sciences [SPI.MAT]Engineering Sciences [physics]/Materials Surface oxygen vacancies Ferroelectric phase Phase (matter) Polarization Phase stability 0103 physical sciences Water molecule Molecule General Materials Science Thin film 010306 general physics Polarization (electrochemistry) Water vapor Crystallography Polar phase Ferroelectric surfaces Mechanical Engineering Surface structure General Chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics First-principles theory Oxygen Electron diffraction Oxygen vacancies Chemical physics Density functional theory calculations In-Situ Study Density functional theory 0210 nano-technology |
| Zdroj: | Nano Letters Nano Letters, 2009, 9 (11), pp.3720-3725. ⟨10.1021/nl901824x⟩ |
| ISSN: | 1530-6992 1530-6984 |
| DOI: | 10.1021/nl901824x⟩ |
| Popis: | The polarization screening mechanism and ferroelectric phase stability of ultrathin BaTiO3 films exposed to water molecules is determined by first principles theory and in situ experiment. Surface crystallography data from electron diffraction combined with density functional theory calculations demonstrate that small water vapor exposures do not affect surface structure or polarization. Large exposures result in surface hydroxylation and rippling, formation of surface oxygen vacancies, and reversal of the polarization direction. Understanding interplay between ferroelectric phase stability, screening, and atomistic processes at surfaces is a key to control low-dimensional ferroelectricity. © 2009 American Chemical Society. |
| Databáze: | OpenAIRE |
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