| Abstract Scope |
We compare the electronic heat capacity and thermal conductivity of non-magnetic UN and ThN against ThC. We used Quantum Espresso and EPW codes based on density-functional theory to evaluate the electron density of states, the electronic heat capacity coefficient, the electron phonon coupling strength, the averaged over the temperature range 300 K – 1000 K, number of mobility electrons, and the electronic heat conductivity [1-3]. We confirmed that while the electronic heat capacity coefficient was linearly dependent on the electron density of states at Fermi energy, such a simple relation could not be used to determine the electronic heat conductivity, which was the highest for ThN.
References:
1) B. Szpunar, J.I. Ranasinghe, L. Malakkal, and J.A. Szpunar, J. Alloys Compd., 879 (2021) 160467;
2) B. Szpunar, J.I. Ranasinghe, et al, J. Phys. and Chem. Solids, 165 (2022) 110647;
3) B. Szpunar, Nucl. Mater. Energy, 32 (2022) 101212, pp. 5. |