Switching Mechanisms in Wurtzite-type Ferroelectrics
•Wurtzite-type ferroelectrics are attractive for integration with semiconductors but generally require enormous coercive fields, approaching breakdown, to reverse their polarization. The underlying switching mechanism(s) remain elusive.
•We use detailed first-principles calculations to reveal previously-unidentified polarization switching mechanisms in wurtzite-type FEs and develop design rules that can be directly translated to actionable recommendations for lowering coercive fields.
•We reveal a new switching mechanism – via the inversion of individual tetrahedra – that departs from the commonly-assumed mechanism in prior literature. We also report different non-polar intermediate structures that may provide clues to domain wall structures.
•The individual switching mechanism is associated with more complex energy landscapes with (potentially) lower overall energy barriers and is unlocked by increasing chemical complexity.