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Register a new userStructural properties of Pb3Mn7O15 determined from high-resolution synchrotron powder diffraction
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We report on the crystallographic structure of the layered compound Pb3Mn7O15. Previous analysis based on laboratory X-ray data at room temperature gave contradictory results in terms of the description of the unit cell. Motivated by recent magnetic bulk measurements of this system, we re-investigated the chemical structure with high-resolution synchrotron powder diffraction at temperatures between 15 K and 295 K. Our results show that the crystal structure of stoichiometric Pb3Mn7O15 has a pronounced 2-dimensional character and can be described in the orthorhombic space group Pnma.
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The epitaxial growth of complex oxide thin films provide three avenues to generate unique properties: the ability to influence the 3-dimensional structure of the film, the presence of a surface, and the generation of an interface. In all three cases, a clear understanding of the resulting atomic structure is desirable. However, determining the full structure of an epitaxial thin film (lattice parameters, space group, atomic positions, surface reconstructions) on a routine basis is a serious challenge. In this paper we highlight the remarkable information that can be extracted from both the Bragg scattering and inelastic multiple scattering events that occur during Reflection High Energy Electron Diffraction. We review some methods to extract structural information and show how mature techniques used in other fields can be directly applied to the {em in-situ} and real-time diffraction images of a growing film. These collection of techniques give access to both the epitaxially influenced 3 dimensional bulk structure of the film, and any reconstructions that may happen at the surface.
Perovskite photovoltaic ABX$_3$ systems are being studied due to their high energy-conversion efficiencies with current emphasis placed on pure inorganic systems. In this work, synchrotron single-crystal diffraction measurements combined with second harmonic generation measurements reveal the absence of inversion symmetry below room temperature in CsPbBr$_3$. Local structural analysis by pair distribution function and X-ray absorption fine structure methods are performed to ascertain the local ordering, atomic pair correlations, and phase evolution in a broad range of temperatures. The currently accepted space group assignments for CsPbBr$_3$ are found to be incorrect in a manner that profoundly impacts physical properties. New assignments are obtained for the bulk structure: $Im$$bar{3}$ (above $sim$ 410 K), $P$2$_1$/$m$ (between $sim$ 300 K and $sim$ 410 K), and the polar group $Pm$ (below $sim$ 300 K), respectively. The newly observed structural distortions exist in the bulk structure consistent with the expectation of previous photoluminescence and Raman measurements. High-pressure measurements reveal multiple low-pressure phases, one of which exists as a metastable phase at ambient pressure. This work should help guide research in the perovskite photovoltaic community to better control the structure under operational conditions and further improve transport and optical properties.
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