Abstract
The electronic band structure of is calculated in a relativistic framework including correlation corrections and magnetization of the Yb ion and compared to detailed angle-resolved photoemission spectra. The photoemission spectra for are used as reference to identify electronic bands with no symmetry. The calculated band structure manifests a spin-polarized configuration leaving the unoccupied state at above the Fermi energy. At the band theory level, the bands are located far below the Fermi level and the anisotropic Coulomb interaction within the shell spreads the multilevel into broader complexes below . The photoemission spectra obtained on show a clear -multilevel splitting into and excitations. The interaction of the levels close to the Fermi energy with two conduction bands shows visible hybridization gaps of 45 and , respectively. We discuss the origin of these excitations and provide an analysis according to Anderson’s single-impurity model with parameters suggested by the band-structure calculation and the photoemission spectra. Both experiment and theory indicate nearly identical Fermi surfaces for and . The valency of Yb in is estimated to be close to .
2 More- Received 4 November 2006
DOI:https://doi.org/10.1103/PhysRevB.76.035106
©2007 American Physical Society