Peak positions and shapes in neutron pair correlation functions from powders of highly anisotropic crystals

Physics – Condensed Matter – Materials Science

Scientific paper

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Scientific paper

10.1103/PhysRevB.64.014303

The effect of the powder average on the peak shapes and positions in neutron
pair distribution functions of polycrystalline materials is examined. It is
shown that for highly anisotropic crystals, the powder average leads to shifts
in peak positions and to non-Gaussian peak shapes. The peak shifts can be as
large as several percent of the lattice spacing.

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