On (not) deriving the entropy of barocaloric phase transitions from crystallography and neutron spectroscopy

We consider well-known signatures of disorder in crystallographic and inelastic neutron scattering data. We show that these can arise from different types of disorder, corresponding to different values of the system entropy. Correlating the entropy of a material with its atomistic structure and dyna...

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Bibliographic Details
Published in:JPhys Energy 2024-01, Vol.6 (1), p.11001
Main Authors: Phillips, Anthony E, Walker, Helen C
Format: Article
Language:English
Subjects:
barocalorics
Crystallography
disorder
Entropy
inelastic neutron scattering
Inelastic scattering
Neutron scattering
Phase transitions
Spectroscopy
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Summary:We consider well-known signatures of disorder in crystallographic and inelastic neutron scattering data. We show that these can arise from different types of disorder, corresponding to different values of the system entropy. Correlating the entropy of a material with its atomistic structure and dynamics is in general a difficult problem that requires correlating information between multiple experimental techniques including crystallography, spectroscopy, and calorimetry. These comments are illustrated with particular reference to barocalorics, but are relevant to a broad range of calorics and other disordered crystalline materials.
ISSN:2515-7655
2515-7655
DOI:10.1088/2515-7655/ad0d00