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Negative thermal expansion and associated anomalous physical properties: review of the lattice dynamics theoretical foundation
Negative thermal expansion (NTE) is the phenomenon in which materials shrink rather than
expand on heating. Although NTE had been previously observed in a few simple materials …
expand on heating. Although NTE had been previously observed in a few simple materials …
Phonons and anomalous thermal expansion behaviour in crystalline solids
Anomalous thermal expansion behaviour of several open frame-work compounds has been
extensively investigated using the techniques of inelastic neutron scattering and lattice …
extensively investigated using the techniques of inelastic neutron scattering and lattice …
First-principles study of phonon anharmonicity and negative thermal expansion in
The microscopic origin of the large negative thermal expansion of cubic scandium
trifluorides (ScF 3) is investigated by performing a set of anharmonic free-energy …
trifluorides (ScF 3) is investigated by performing a set of anharmonic free-energy …
[HTML][HTML] Which phonons contribute most to negative thermal expansion in ScF3?
Using calculations of the phonon distribution in ScF3 across the whole of reciprocal space,
we show that the important phonons for the negative thermal expansion in this material are …
we show that the important phonons for the negative thermal expansion in this material are …
Large Negative Thermal Expansion and Anomalous Behavior on Compression in Cubic ReO3-Type AIIBIVF6: CaZrF6 and CaHfF6
CaZrF6 and CaHfF6 display much stronger negative thermal expansion (NTE)(α L100 K∼−
18 and− 22 ppm· K–1, respectively) than ZrW2O8 and other corner-shared framework …
18 and− 22 ppm· K–1, respectively) than ZrW2O8 and other corner-shared framework …
Negative and Near-Zero Thermal Expansion in A 2 M 3O12 and Related Ceramic Families: A Review
This review presents the history of materials in the A 2 M 3O12 and related ceramic families,
including their unusual thermal expansion and the present understanding of its mechanism …
including their unusual thermal expansion and the present understanding of its mechanism …
Origin of negative thermal expansion and pressure-induced amorphization in zirconium tungstate from a machine-learning potential
Understanding various macroscopic pressure-volume-temperature properties of materials
on the atomistic level has always been an ambition for physicists and material scientists …
on the atomistic level has always been an ambition for physicists and material scientists …
Controlling thermal expansion: a metal–organic frameworks route
Controlling thermal expansion is an important, not yet resolved, and challenging problem in
materials research. A conceptual design is introduced here, for the first time, for the use of …
materials research. A conceptual design is introduced here, for the first time, for the use of …
Solid solubility, phase transitions, thermal expansion, and compressibility in Sc1− xAlxF3
With the goal of thermal expansion control, the synthesis and properties of Sc 1− x Al x F 3
were investigated. The solubility limit of AlF 3 in ScF 3 at~ 1340 K is~ 50%. Solid solutions …
were investigated. The solubility limit of AlF 3 in ScF 3 at~ 1340 K is~ 50%. Solid solutions …
Flexibility of network materials and the Rigid Unit Mode model: a personal perspective
The Rigid Unit Mode model was initially developed to understand the origin of displacive
phase transitions in network silicate structures. Here, we review the successes of the model …
phase transitions in network silicate structures. Here, we review the successes of the model …