"Hybrid improper ferroelectric materials based on cadmium"

Autores: Michel L. Marcondes, Samuel S. M. Santos, Ivan P. Miranda, Pedro Rocha-Rodrigues, Lucy V. C. Assali, Armandina M. Lopes, João P. Araújo, e Helena M. Petrilli.

Instituições: Universidade de São Paulo.

Autor apresentador: Michel L. Marcondes.

Resumo: Here, we used ab initio calculations to investigate the effect of substituting Ca by Cd in several Ruddlesden-Popper (RP) and double perovskite (DP) systems. Showing a large impact on the ferroelectric properties, our results reveal the relations between octahedral rotations with the atomic displacements responsible for inducing large electrical polarization in hybrid improper ferroelectrics. We show that these chemical substitutions tailor ferroelectric properties and can be used to engineer RP and DP materials, increasing their applicability range as ferroelectric and piezoelectric materials. In addition, our relative enthalpy results provide a Cd concentration range at which alloys of the type Ca3(1-x)Cd3xB2O7 (B = Ti, Mn) are stable.

Link do vídeo: https://youtu.be/PrhT272HnDo

Link da sala do Meet: https://meet.google.com/rbj-ruhc-yiq