Size effects in multiferroic BiFeO3 nanodots: A first-principles-based study

Details Size effects in multiferroic BiFeO3 nanodots: A first-principles-based study Size effects in multiferroic BiFeO3 nanodots: A first-principles-based study

2010-10-18

arxiv.org/abs/1010.3479v1

Phys. Rev. B, 82, 113403 (2010)

Physics

Condensed Matter

Materials Science

3 figures

Scientific paper

10.1103/PhysRevB.82.113403

An effective Hamiltonian scheme is developed to investigate structural and magnetic properties of BiFeO3 nanodots under short-circuit-like electrical boundary conditions. Various striking effects are discovered. Examples include (a) scaling laws involving the inverse of the dots' size for the magnetic and electric transition temperatures; (b) the washing out of some structural phases present in the bulk via size effects; (c) the possibility of tailoring the difference between the Neel and Curie temperatures, by playing with the size and electrical boundary conditions; and (d) an universal critical thickness of the order of 1.6 nm below which the dots do not possess any long-range ordering for the electrical and magnetic dipoles, as well as, for the oxygen octahedral tiltings.

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