New Insight into the Concept of Ferroelectric Correlation Volume
Using an effective Hamiltonian derived from first-principles calculations, we discuss the concept of "ferroelectric correlation volume" and show that it cannot be uniquely defined: it is not the size but the anisotropic shape of the polar region that is crucial for stabilizing a ferroelectric
distortion into a ferroelectric materials. To provide basic understanding of this result, the stability of a polar region is analyzed in term of intra-chain and inter-chain interactions.
Keywords: BATIO3; CORRELATION VOLUME; FERROELECTRICITY; SIZE EFFECTS
Document Type: Research Article
Publication date: 01 April 2008
- 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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