The results of self-consistent linear muffin-tin orbital calculations for uranium dioxide as a function of lattice parameter are reported. The change of total energy with volume is zero for a lattice parameter within 0. 5% of the experimental equilibrium. The gap between valence and conduction bands is determined to be 5. 35 eV and the valence bandwidth to be 5. 6 eV.
|Number of pages||3|
|Publication status||Published - Oct 1980|
|Event||International Conference on the Physics of Actinides and Related 4f Matter 1980 - |
Duration: 9 Apr 1980 → 11 Apr 1980