Functional lattice instabilities in naturally layered perovskites

• Grant number: 19/07661-9
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• Start date: July 01, 2019
• End date: March 31, 2022
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Agreement: Fundação para a Ciência e a Tecnologia (FCT)
• Principal Investigator: Helena Maria Petrilli
• Grantee: Michel Lacerda Marcondes dos Santos
• Host Institution: Instituto de Física (IF). Universidade de São Paulo (USP). São Paulo , SP, Brazil
• Associated research grant: 18/07760-4 - Functional lattice instabilities in naturally layered perovskites, AP.R

Abstract

This project aims to produce, model and probe Naturally Layered Perovskites, providing new efficient materials for sustainable energy conversion. It will explore the possibilities to adjust oxygen octahedra rotations to create acentricity in Ruddlesden-Popper and double perovskite oxides enabling room temperature magneto-electric coupling or negative thermal expansion. The project will focus in the incorporation of multiple cations into Ca3(Mn,Ti)2O7 and AA BMnO6. Using methods including non-equilibrium approaches such High-Pressure or Pulsed-Laser Deposition we will engineer crystallographic phases with adjusted lattice, electric and magnetic interactions. The overall study will comprehend the theoretical modeling of the systems, their characterization by conventional macroscopic techniques and by a combination of exquisite local probe ones. Significant impact on unveiling strategies for materials functionalization far beyond state-of-the-art is foreseen.

Scientific publications

(6)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

SANTOS, SAMUEL S. M.; MARCONDES, MICHEL L.; MIRANDA, IVAN P.; ROCHA-RODRIGUES, PEDRO; ASSALI, LUCY V. C.; LOPES, ARMANDINA M. L.; PETRILLI, HELENA M.; ARAUJO, JOAO P.. Spontaneous electric polarization and electric field gradient in hybrid improper ferroelectrics: insights and correlations. JOURNAL OF MATERIALS CHEMISTRY C, v. 9, n. 22, JUN 14 2021. (19/07661-9, 18/07760-4)

MARCONDES, MICHEL L.; SANTOS, SAMUEL S. M.; MIRANDA, IVAN P.; ROCHA-RODRIGUES, PEDRO; ASSALI, LUCY V. C.; LOPES, ARMANDINA M. L.; ARAUJO, JOAO P.; PETRILLI, HELENA M.. On the stability of calcium and cadmium based Ruddlesden-Popper and double perovskite structures. JOURNAL OF MATERIALS CHEMISTRY C, v. 9, n. 42, OCT 2021. (18/07760-4, 19/07661-9)

DA SILVA, ESTELINA LORA; GERAMI, ADELEH MOKHLES; LEKSHMI, P. NEENU; MARCONDES, MICHEL L.; ASSALI, LUCY V. C.; PETRILLI, HELENA M.; CORREIA, JOAO GUILHERME; LOPES, ARMANDINA M. L.; ARAUJO, JOAO P.. Group Theory Analysis to Study Phase Transitions of Quasi-2D Sr3Hf2O7. NANOMATERIALS, v. 11, n. 4, p. 16-pg., 2021-04-01. (19/07661-9, 18/07760-4)

MARCONDES, MICHEL L.; SANTOS, SAMUEL S. M.; MIRANDA, IVAN P.; ROCHA-RODRIGUES, PEDRO; ASSALI, LUCY V. C.; LOPES, ARMANDINA M. L.; ARAUJO, JOAO P.; PETRILLI, HELENA M.. Cadmium-based ferroelectrics with the Ruddlesden-Popper and double perovskite structures: a theoretical study. JOURNAL OF MATERIALS CHEMISTRY C, v. 8, n. 41, p. 14570-14578, NOV 7 2020. (19/07661-9, 18/07760-4)

MISCIONE, JUAN MANUEL COSTA; DA SILVA, FELIPE CARNEIRO; MARCONDES, MICHEL LACERDA; PETRILLI, HELENA MARIA; SCHON, CLAUDIO GERALDO. Evaluating residual stresses in compositionally graded TiN films via ab initio and Rietveld simulation. MATERIALIA, v. 28, p. 17-pg., 2023-02-24. (19/07661-9, 18/07760-4)

BARBOSA, M. C. B.; DA SILVA, E. LORA; LEKSHMI, P. NEENU; MARCONDES, M. L.; ASSALI, L. V. C.; PETRILLI, H. M.; LOPES, A. M. L.; ARAUJO, J. P.. Pressure-Induced Phase Transformations of Quasi-2D Sr₃Hf₂O₇. Journal of Physical Chemistry C, v. 127, n. 31, p. 8-pg., 2023-08-01. (19/07661-9, 18/07760-4)