Atomistic treatment of depolarizing energy and field in ferroelectric nanostructures

Details Atomistic treatment of depolarizing energy and field in ferroelectric nanostructures Atomistic treatment of depolarizing energy and field in ferroelectric nanostructures

2005-05-25

arxiv.org/abs/cond-mat/0505622v1

Physics

Condensed Matter

Materials Science

Scientific paper

An {\it atomistic} approach allowing an accurate and efficient treatment of depolarizing energy and field in {\it any} low-dimensional ferroelectric structure is developed. Application of this approach demonstrates the limits of the widely used continuum model (even) for simple test cases. Moreover, implementation of this approach within a first-principles-based model reveals an unusual phase transition -- from a state exhibiting a spontaneous polarization to a phase associated with a toroid moment of polarization -- in a ferroelectric nanodot for a critical value of the depolarizing field.

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