First-Principles Modeling of Ferroelectric Oxide Nanostructures

Philippe Ghosez; Javier Junquera

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First-Principles Modeling of Ferroelectric Oxide Nanostructures

Philippe Ghosez·Javier Junquera

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Abstract

The aim of this Chapter is to provide an account of recent advances in the first-principles modeling of ferroelectric oxide nanostructures. Starting from a microscopic description of ferroelectricity in bulk materials and considering then, successively, different kinds of nanostructures (films, multilayers, wires, and particles), we try to identify the main trends and to provide a coherent picture of the role of finite size effects in ferroelectric oxides.

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Philippe Ghosez, Javier Junquera. 2006-05-11. First-Principles Modeling of Ferroelectric Oxide Nanostructures. https://arxiv.org/abs/cond-mat/0605299

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