Phys. Rev. B 72, 140102(R) (2005) [4 pages]Atomistic treatment of depolarizing energy and field in ferroelectric nanostructures
An atomistic approach allowing an accurate and efficient treatment of depolarizing energy and field in 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. © 2005 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.72.140102
DOI:
10.1103/PhysRevB.72.140102
PACS:
77.22.Ej, 77.80.Bh, 77.84.Dy
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