Origin of sawtooth domain walls in ferroelectrics
arXiv:1905.07191 · doi:10.1103/PhysRevB.101.060103
Abstract
Domains and domain walls are among the key factors that determine the performance of ferroelectric materials. In recent years, a unique type of domain walls, i.e., the sawtooth-shaped domain walls, has been observed in BiFeO and PbTiO. Here, we build a minimal model to reveal the origin of these sawtooth-shaped domain walls. Incorporating this model into Monte-Carlo simulations shows that (i) the competition between the long-range Coulomb interaction (due to bound charges) and short-range interaction (due to opposite dipoles) is responsible for the formation of these peculiar domain walls and (ii) their relative strength is critical in determining the periodicity of these sawtooth-shaped domain walls. Necessary conditions to form such domain walls are also discussed.
References in corpus (11)
- Physics of thin-film ferroelectric oxides
- First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO3
- Phase instability induced by polar nanoregions in a relaxor ferroelectric system
- Finite-Temperature Properties of Ba(Zr,Ti)O Relaxors From First Principles
- Domain walls in a perovskite oxide with two primary structural order parameters: first-principles study of BiFeO
- Simulations of Coulomb systems with slab geometry using an efficient 3d Ewald summation method
- Pressure on charged domain walls and additional imprint mechanism in ferroelectrics
- Harnessing ferroelectric domains for negative capacitance
- Domain structure of bulk ferromagnetic crystals in applied fields near saturation
- Ewald summation for ferroelectric perovskites with charges and dipoles
- Terahertz dielectric response and coupled dynamics of ferroelectrics and multiferroics from effective Hamiltonian simulations