%0 Journal Article
%T Piezoelectricity and Related Properties in Orthorhombic Cadmium Diiodate
%+ Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM)
%+ Laboratoire Charles Coulomb (L2C)
%A Azeroual, H.
%A Bantignies, J.-L.
%A Alvarez, L.
%A Maurin, D.
%A Granier, D.
%A Haines, J.
%A Cambon, O.
%A Hermet, P.
%< avec comité de lecture
%@ 2050-7526
%J Journal of Materials Chemistry C
%I Royal Society of Chemistry
%V 10
%N 25
%P 9499-9511
%8 2022-06-13
%D 2022
%R 10.1039/D2TC00769J
%Z Chemical Sciences/Theoretical and/or physical chemistryJournal articles
%X We report a complete investigation of the structural, electronic, vibrational, elastic and piezoelectric properties of the P2 1 2 1 2 1 orthorhombic phase in cadmium diiodate (δ-Cd(IO 3) 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(IO 3) 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 e 41 =-0.27 C/m 2 and d 41 =-10.32 pC/N. These sizable values associated with the thermal stability (no phase transition up to the thermal decomposition at 550°C) and a relative large electronic band gap make δ-Cd(IO 3) 2 a potential candidate for piezoelectric applications.
%G English
%2 https://hal.umontpellier.fr/hal-03759175/document
%2 https://hal.umontpellier.fr/hal-03759175/file/CDI_RSC%20%281%29.pdf
%L hal-03759175
%U https://hal.umontpellier.fr/hal-03759175
%~ CNRS
%~ ENSC-MONTPELLIER
%~ ICG
%~ L2C
%~ INC-CNRS
%~ CHIMIE
%~ UNIV-MONTPELLIER
%~ UM-2015-2021
%~ UM-EPE