The World's Largest Database of Piezoelectric Properties
Visualization of the piezoelectric tensor: directional dependence of longitudinal piezoelectric constant in an orthorhombic compound (point group mm2)
Used first-principles calculations to compute piezoelectric tensors for nearly 1000 compounds, thereby increasing the available data for this property by an order of magnitude.
Significance and Impact
Provides new open-access data; indicates what structures and elements may be important for developing novel materials with strong piezoelectric properties.
- Piezoelectric materials are important in applications requiring coupling between electrical fields and mechanical strain
- This work used high-throughput calculations to compute piezoelectric tensors using resources at NERSC
- Certain structures of elements give rise to large piezoelectric responses; the larger the response, the better the performance
- Results are compared to experimental data to establish accuracy
- Found new non-Pb containing materials with high piezoelectric response; these are anticipated to guide discovery of novel functional materials.