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Abstract: The effect of nitrogen doping on optical properties and electronic structures of SrZrO3 (SZO) films was investigated both experimentally and theoretically. A shift of the absorption edge to the longer wavelength, i.e., the narrowing of the band gap caused by nitrogen doping was observed. The first-principles calculations revealed that the band gap reduced in nitrogen-doped SZO because of the localized N 2p states above O 2p states and the bottom of conduction band of Zr 4d shifting to a lower energy. [ABSTRACT FROM AUTHOR]

Abstract: Sr1−x Pr x TiO3 films were prepared by metal organic deposition method on (111) Pt/Ti/SiO2/Si substrates. Pr-doping greatly improves the dc leakage behavior of the films. The samples with show excellent electric field frequency and temperature stability of dielectric properties, while the samples indicate an obvious dielectric relaxation behavior and better polarization versus applied electric field (–) hysteresis loops. These peculiar electrical properties can be explained mainly by the Pr-doping-induced changes in the free charge carriers, the lattice distortion, the charge transfer process and polar nanoregions. In addition, the variable valence of Pr ions may also have significant impacts. [Copyright &y& Elsevier]

Abstract: Dense and flat SrZrO3 films in an orthorhombic (Pbnm) perovskite phase are fabricated on fused quartz substrates via the metal organic decomposition method. Optical measurements show that the average transmittance of the films is about 90% for light with a wavelength longer than 240 nm, and the absorption edge of the films shifts to longer wavelengths with an increase of annealing temperature and film thickness. Meanwhile, first-principles calculations are performed by using an accurate Vienna ab initio simulation package to explore the electronic band structure of orthorhombic SrZrO3. The observed shift of the absorption edge could be well explained by the size effect on the band structure. [Copyright &y& Elsevier]