Negative thermal expansion (NTE) is a counterintuitive physical phenomenon that the unit
cell volume of material usually contracts instead of expands upon heating. With two …

Materials with the perovskite ABX3 structure play a major role across materials chemistry
and physics as a consequence of their ubiquity and wide range of useful properties. ReO3 …

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 …

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 …

While most solids expand when heated, some materials show the opposite behavior:
negative thermal expansion (NTE). In polymers and biomolecules, NTE originates from the …

Microscopic knowledge of the structural, energetic, and electronic properties of scandium
fluoride is still incomplete despite the relevance of this material as an intermediate for the …

We characterize perovskite TiF 3, a material which is reported to display significant negative
thermal expansion at elevated temperatures above its cubic-to-rhombohedral structural …

Abstract Reverse Monte Carlo simulations coupled with evolutionary algorithm were
employed for the analysis of the temperature dependent (10–300 K) Cu K-edge extended X …

Scandium fluoride (ScF 3) belongs to a class of negative thermal expansion (NTE) materials.
It shows a strong lattice contraction up to about 1000 K switching to expansion at higher …

Extended x-ray absorption fine structure (EXAFS) at the Cd K edge and diffraction patterns
have been measured on CdTe as a function of pressure from 100 kPa (1 bar) to 5 GPa using …