Negative thermal expansion of ScF<sub>3</sub>: Insights from density-functional molecular dynamics in the isothermal-isobaric ensemble
- Author(s)
- Petr Lazar, Tomáš Bučko, Juergen Hafner
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Comenius University Bratislava, Slovak Academy of Sciences (SAS), Palacký University Olomouc (UP)
- Journal
- Physical Review B
- Volume
- 92
- Pages
- 224302
- No. of pages
- 6
- ISSN
- 1098-0121
- DOI
- https://doi.org/10.1103/PhysRevB.92.224302
- Publication date
- 12-2015
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103025 Quantum mechanics, 103036 Theoretical physics, 103015 Condensed matter, 103009 Solid state physics
- Keywords
- ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials, Condensed Matter Physics
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/negative-thermal-expansion-of-scf3-insights-from-densityfunctional-molecular-dynamics-in-the-isothermalisobaric-ensemble(a1b13757-8df6-4e15-b57a-edcfcc057230).html