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Study of structural and vibrational properties of glass and glass-ceramic materials via Raman scattering as a function of temperature and high hydrostatic pressures.

Grant number: 19/12383-8
Support Opportunities:Scholarships in Brazil - Post-Doctoral
Start date: August 01, 2019
End date: July 31, 2023
Field of knowledge:Physical Sciences and Mathematics - Physics - Condensed Matter Physics
Principal Investigator:Paulo Sergio Pizani
Grantee:Thiago Rodrigues da Cunha
Host Institution: Centro de Ciências Exatas e de Tecnologia (CCET). Universidade Federal de São Carlos (UFSCAR). São Carlos , SP, Brazil
Associated research grant:13/07793-6 - CEPIV - Center for Teaching, Research and Innovation in Glass, AP.CEPID

Abstract

The present work aims at the synthesis and the study of the structural, vibrational and optical properties of glasses and glass-ceramics with composition (A1-xBx)O + SiO2, (A = Pb, Ba, Sr and B = Fe, Co, Cr) through in-situ measurements of Raman spectra as a function of temperature and pressure, correlating these experimental results with theoretical Molecular Dynamics (MD) simulated data. The experimental data should be used as initial information for the calculation of the interatomic potential which gives rise to the theoretical phonon spectrum in the MD. The project will be executed by the beneficiary at the CeRTEV laboratories and will count with his experience in Raman spectroscopy as a function of temperature and hydrostatic pressure and with the analysis using X-ray diffraction (XRD) with the Rietveld method.

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Scientific publications (7)
(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)
SAMPAIO, V, DAVID; PENA, RAFAELLA B.; MOULTON, BENJAMIN J. A.; REZENDE, V, MARCOS; SILVA, DEYVID DO C.; SILVA, RONALDO S.; DA CUNHA, THIAGO R.; MASTELARO, VALMOR R.; ZANOTTO, EDGAR D.; PIZANI, PAULO S.. Chromium in lead metasilicate glass: Solubility, valence, and local environment via multiple spectroscopy. CERAMICS INTERNATIONAL, v. 48, n. 1, p. 173-178, . (16/18567-5, 16/15962-0, 17/11868-2, 13/07793-6, 19/12383-8)
DE TOLEDO, T. A.; CUNHA, T. R.; DE FARIA, J. L. B.; BENTO, R. R. F.; PIZANI, P. S.. Low-temperature and high-pressure Raman scattering study of the molecular crystal 2-amino-5-ethyl-1,3,4-thiadiazole. VIBRATIONAL SPECTROSCOPY, v. 113, . (19/12383-8, 13/07793-6)
COSTA, I. M.; CUNHA, T. R.; CICHETTO JR, L.; ZAGHETE, M. A.; CHIQUITO, A. J.. Investigation on the optical and electrical properties of undoped and Sb-doped SnO2 nanowires obtained by the VLS method. PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, v. 134, . (19/12383-8, 17/23663-6, 13/07296-2, 14/01371-5)
CUNHA, T. R.; SAMPAIO, D. V.; PENA, R. B.; MOULTON, B. J. A.; LANCELOTTI, R. F.; ALABARSE, F. G.; RODRIGUES, A. D.; PIZANI, P. S.. Thermal expansion and compressibility of alamosite (PbSiO3) determined by in-situ synchrotron X-ray diffraction. CERAMICS INTERNATIONAL, v. 48, n. 23, p. 5-pg., . (16/18567-5, 17/11025-5, 17/11868-2, 19/12383-8)
GOMES, EDUARDO O.; MOULTON, BENJAMIN J. A.; CUNHA, THIAGO R.; GRACIA, LOURDES; PIZANI, PAULO S.; ANDRES, JUAN. Identifying and explaining vibrational modes of sanbornite (low-BaSi2O5) and Ba5Si8O21: A joint experimental and theoretical study. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v. 248, . (19/12383-8, 16/18567-5, 13/07793-6)
PENA, R. B.; SAMPAIO, D. V.; LANCELOTTI, R. F.; CUNHA, T. R.; ZANOTTO, E. D.; PIZANI, P. S.. In-situ Raman spectroscopy unveils metastable crystallization in lead metasilicate glass. Journal of Non-Crystalline Solids, v. 546, . (19/12383-8, 16/15962-0, 13/07793-6, 17/11868-2)
MOULTON, BENJAMIN J. A.; GOMES, EDUARDO O.; CUNHA, THIAGO R.; DOERENKAMP, CARSTEN; GRACIA, LOURDES; ECKERT, HELLMUT; ANDRES, JUAN; PIZANI, PAULO S.. A theoretical and experimental investigation of hetero- vs. homo-connectivity in barium silicates. AMERICAN MINERALOGIST, v. 107, n. 4, p. 13-pg., . (16/18567-5, 17/06649-0, 13/07793-6, 19/12383-8)