Anisotropic negative thermal expansion in high-pressure phases of ScF 3
Abstract
molecular dynamics (AIMD) simulations show that both the cubic and the rhombohedral phases show bond-length elongation as well as deviation in dihedral angle confirming their NTE.
Fields of Study & Subjects
Thermal Expansion and Ionic Conductivity
High-pressure geophysics and materials
Heusler alloys: electronic and magnetic properties
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 5
- Pages
- 3633–3641
- Publication date
- 1 January 2026
- Language
- EN