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First-Principles Study of Ferroelectric Oxide Epitaxial Thin Films and Superlattices: Role of the Mechanical and Electrical Boundary Conditions

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Abstract:

In this review, we propose a summary of the most recent advances in the first-principles study of ferroelectric oxide epitaxial thin films and multilayers. We discuss in detail the key roles of mechanical and electrical boundary conditions, providing to the reader the basic background for a simple and intuitive understanding of the evolution of the ferroelectric properties in many nanostructures. Going further we also highlight promising new avenues and future challenges within this exciting field or researches.

Keywords: DEPOLARIZING FIELD; ELECTRICAL BOUNDARY CONDITIONS; FERROELECTRICITY; MECHANICAL BOUNDARY CONDITIONS; NANOPARTICLES; NANOWIRES; PEROVSKITE OXIDES; SIZE EFFECTS; STRAIN; SUPERLATTICES; THIN FILMS

Document Type: Review Article

DOI: https://doi.org/10.1166/jctn.2008.1101

Publication date: 2008-11-01

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  • Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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