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Lattice Anharmonicity and Grüneisen Parameter Estimation Using X-Ray Diffraction
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DOI：10.3390/cryst16020118.png)
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Abstract
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Powder X-ray diffraction measurements were carried out on various samples to characterize their thermal expansion over a wide temperature range (93-1373 K). Using an effective interatomic potential model, we present a method to empirically estimate the Gr & uuml;neisen parameter, as well as cubic and quartic anharmonic contributions to the lattice potential. This method is further tested on materials for which thermal expansion data are readily available. For most of the materials surveyed, the Gr & uuml;neisen parameter values match those reported in the literature, obtained using traditional techniques. Thus, this work presents a novel and convenient Gr & uuml;neisen parameter estimation method that uses measurements of only one physical property, thermal expansion.
Keywords:
Gr & uuml
neisen parameter
thermal expansion
lattice anharmonicity
X-ray diffraction
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