Structural phase transition, mechanics, and thermodynamics of heavy fermion metal UPt <sub>3</sub> under pressure
An orthorhombic phase of UPt 3 was predicted under pressure using DFT and CALYPSO. Pressure-induced phase transition, P – T phase diagram, and changes of the electronic structure, elastic and thermodynamic properties were studied in DFT level.
Authors
- Jiang‐Jiang Ma
- Bao‐Tian Wang (ORCID: https://orcid.org/0000-0002-4032-3344)
- Hao Quan
- Weidong Li (ORCID: https://orcid.org/0000-0001-7865-0685)
- Li Li (ORCID: https://orcid.org/0000-0001-5324-2271)
Institutions
- Taiyuan Normal University (CN)
- Shanxi University (CN)
- Chinese Academy of Sciences (CN)
- China Spallation Neutron Source (CN)
- Institute of High Energy Physics (CN)
- Shenzhen Technology University (CN)
- Advanced Laser Technology (United Kingdom) (GB)
Publication Details
- Journal
- Journal of Materials Chemistry C
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5tc00379b
- Primary Topic
- Rare-earth and actinide compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00