A variable temperature synchrotron X-ray diffraction study of the ferroelastic double perovskite Ba2GdMoO6

Literature Information

Publication Date 2013-01-03
DOI 10.1039/C2CP43732E
Impact Factor 3.676
Authors

Thomas K. Wallace, Ross H. Colman, Abbie C. Mclaughlin


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Abstract

A study of the magnetic and structural properties of the double perovskite Ba2GdMoO6 has been performed. The crystal structure distorts from the ideal cubic (Fmm) structure to the tetragonal space group I4/m at 220 K, before undergoing a second distortion to a triclinic system (I) at 80 K. The phase transition to triclinic symmetry is also evident in magnetic susceptibility measurements. The variable temperature synchrotron powder X-ray diffraction results reveal that Ba2GdMoO6 is ferroelastic, with the onset of ferroelastic domain formation occurring at the cubic–tetragonal phase transition. A number of Rietveld refinement techniques for modelling diffuse scattering from ferroelastic domain boundaries have been explored.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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