Abstract
We have calculated -level positions in samarium metal as functions of Wigner-Seitz radius and find that the state, which is empty at normal pressure, becomes occupied at larger , signaling a trivalent-to-divalent transition. The valence change is estimated to occur for a volume expansion of approximately 8%. One-electron estimates of the excitation energies fail to show this behavior. The Coulomb term is confined to a narrow energy interval over the range considered.
- Received 26 January 1981
DOI:https://doi.org/10.1103/PhysRevB.24.1679
©1981 American Physical Society