First-Principles Modeling of Ferroelectric Oxide Nanostructures
Philippe Ghosez, Javier Junquera
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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