Electronic Thermal Conductivity of UN Revisited
Abstract
Recently, we demonstrated that the electronic thermal conductivity of UN can be predicted from first principles, in good agreement with experimental measurements. Furthermore, we found that by implementing Hubbard U (HU) or spin orbit (SOC) corrections and antiferromagnetic (AFM) ordering was necessary to increase electrical resistivity and reduce the previously overpredicted electronic thermal conductivity for non-magnetic UN. We found that calculated electronic thermal conductivity for 3k noncollinear (NCL) magnetism in UN was underpredicted with and without SOC correction. Additionally, thermomechanical properties were presented at finite temperatures as calculated using quasi-harmonic approximation (QHA) within Density Functional Theory (DFT).
Fields of Study & Subjects
Physics of Superconductivity and Magnetism
Rare-earth and actinide compounds
Thermal properties of materials
Publication details
- Journal / source
- Journal of Modern Physics
- Publisher
- Scientific Research Publishing, Inc.
- Volume
- 17
- Issue
- 08
- Pages
- 940–952
- Publication date
- 1 January 2026