SCHEDULED MAINTENANCE
Piezoelectricity and related properties in orthorhombic cadmium diiodate†
Abstract
We report a complete investigation of the structural, electronic, vibrational, elastic and piezoelectric properties of the P212121 orthorhombic phase in cadmium diiodate (δ-Cd(IO3)2) by combining experiments and first-principles based calculations. We revisited the nature of the electronic band gap and suggest an indirect band gap with a value of 4.6 eV. The infrared and Raman responses were measured and the different phonon modes assigned. To date, the δ-Cd(IO3)2 piezoelectric response remains unknown. We reported the different mechanisms involved in its piezoelectric response from the density functional perturbation theory. The highest value of the piezoelectric-stress and piezoelectric-strain constants in the zero Kelvin limit is predicted for e41 = −0.27 C m−2 and d41 = −10.32 pC N−1. These sizable values associated with the thermal stability (no phase transition up to the thermal decomposition at 550 °C) and a relatively large electronic band gap make δ-Cd(IO3)2 a potential candidate for piezoelectric applications.
- This article is part of the themed collection: Journal of Materials Chemistry C HOT Papers
Please wait while we load your content...
