Abstract
Electronic structure calculations based on density functional theory have uncovered a novel mechanism for inducing ferroelectric polarizations in cation ordered perovskites. We outline a materials selection strategy for designing this behavior. The guidelines are based on the octahedral rotations found in the two constituent oxides and the way the perovskite building blocks are interwoven to form the superlattice.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 1961-1968 |
| Number of pages | 8 |
| Journal | Advanced Materials |
| Volume | 24 |
| Issue number | 15 |
| DOIs | |
| State | Published - Apr 17 2012 |
Keywords
- cation order
- density functional theory
- ferroelectricity
- perovskites
- superlattices
ASJC Scopus subject areas
- Mechanics of Materials
- Mechanical Engineering
- Materials Science(all)