Atomistic treatment of depolarizing energy and field in ferroelectric nanostructures

Abstract

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.

References in corpus (2)

• Finite-temperature properties of PZT alloys from first principles
• Ultrathin films of ferroelectric solid solutions under residual depolarizing field

Cited by in corpus (17)

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• Size effects in multiferroic BiFeO3 nanodots: A first-principles-based study
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• Theoretical phase diagram of ultrathin films of incipient ferroelectrics
• Microscopic Aspects of Magnetic Lattice Demagnetizing Factors
• Experimental evidence of the ferroelectric phase transition near the $\lambda -$point in liquid water
• Investigating phase transitions from local crystallographic analysis based on machine learning of atomic environments
• Model Energy Landscapes of Low-Temperature Fluids: Dipolar Hard Spheres
• Poincaré sphere engineering of dynamical ferroelectric topological solitons