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- Synthesis, optical and ferroelectric properties of PZT thin films: experimental and theoretical investigation
- Univ Jaume 1
- Universidade Estadual Paulista (UNESP)
- Spanish MALTA-Consolider Ingenio Program
- Bancaixa Foundation
- Spanish-Brazilian Program
- Ciência e Innovacion
- Generalitat Valenciana
- Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
- Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
- Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
- Spanish MALTA-Consolider Ingenio Program: CSD2007-00045
- Bancaixa Foundation: P11B2009-08
- Spanish-Brazilian Program: PHB2009-0065-PC
- Ciência e Innovacion: CTQ2009-14541-C02
- Generalitat Valenciana: Prometeo/2009/053
- PbZr0.40Ti0.60O3 (PZT40/60) thin films with ferroelectric and dielectric properties have been grown on Pt/Ti/SiO2/Si and LaAlO3 (100) substrates using the chemical solution deposition method. These films have been characterized by different techniques such as X-ray diffraction (XRD), Raman, infrared and optical transmittance measurements. The transmittance curve of the PZT40/60 thin films on a LaAlO3 (100) substrate showed an optical band gap of 4.03 and 3.10 eV for the direct and indirect transition processes, respectively. To complement experimental data, first principles calculations at the DFT-B3LYP level were performed on periodic model systems of PbTiO3 and PZT40/60 to provide an insight into structural, optical and electronic behavior. The band gap of the PZT40/60 system for PbO and ZrO2 terminations is in agreement with trends of experimental data and results in smaller values than the band gap calculated for the PbTiO3 system.
- Journal of Materials Chemistry. Cambridge: Royal Soc Chemistry, v. 22, n. 14, p. 6587-6596, 2012.
- Royal Soc Chemistry
- Acesso restrito
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