Clabel H J L, Nicolodelli G, Lozano C G, G Rivera V A, Ferreira S O, Pinto Alexandre H, Li M Siu, Marega E
Physics Institute of São Carlos, University of São Paulo, P. O. Box 369, 13560-970, São Carlos, SP, Brazil.
Phys Chem Chem Phys. 2021 Sep 14;23(34):18694-18706. doi: 10.1039/d1cp01765a. Epub 2021 Aug 18.
The electronic properties of BaTiO perovskite oxides are not completely understood, despite their excellent electro-optical performance and potential for light generation. Particularly, when there is multiple peak formation in the photoluminescence spectra, their origins are not discussed. Their luminescence spectra reveal an unexpected thermodynamic relationship between the core excitonic states and the surface of the BaTiO. These results give a broad insight into the origins of the emission properties of perovskite oxides. The self-trapped excitons contribution to the broadbands highlights their extrinsic origin. Through spectroscopy techniques and parallel factor analysis (PARAFAC) modeling, we demonstrate that additional broadbands are sensitive to extrinsic defects, type ν-CH, a product of decomposition of 2-propanol. The presence of C-H bonds shows the dependence with the calcination temperature and the increase of the lattice expansion coefficient until 4.7 × 10 K resulting in the contribution to the change of band gap with the temperature ((dE/dT)). In this work, we correlated the electronic properties of BaTiO with intrinsic and extrinsic defects and elucidated the presence of additional broadbands. This approach differentiates the contributions of excitonic states and surfaces, which is necessary to understand the electronic properties of perovskite oxides.
尽管钛酸钡(BaTiO)钙钛矿氧化物具有优异的电光性能和发光潜力,但其电子特性尚未完全被理解。特别是,当光致发光光谱中出现多个峰时,其起源并未得到讨论。它们的发光光谱揭示了核心激子态与BaTiO表面之间意想不到的热力学关系。这些结果为钙钛矿氧化物发射特性的起源提供了广泛的见解。自陷激子对宽带的贡献突出了它们的非本征起源。通过光谱技术和平行因子分析(PARAFAC)建模,我们证明了额外的宽带对非本征缺陷敏感,即ν-CH型,它是2-丙醇分解的产物。C-H键的存在表明其与煅烧温度有关,并且晶格膨胀系数增加到4.7×10 K,导致带隙随温度变化((dE/dT))。在这项工作中,我们将BaTiO的电子特性与本征和非本征缺陷相关联,并阐明了额外宽带的存在。这种方法区分了激子态和表面的贡献,这对于理解钙钛矿氧化物的电子特性是必要的。