Electronic band structure and Kondo coupling in YbRh2Si2
Journal Article
·
· J. Phys. B46:164031, 2013
OSTI ID:975789
The electronic band structure of YbRh2Si2 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 LuRh2Si2 are used as reference to identify electronic bands with no f symmetry. The calculated band structure manifests a 4f13 spin-polarized configuration leaving the unoccupied state at 1.4eV above the Fermi energy. At the band theory level, the 4f bands are located far below the Fermi level and the anisotropic Coulomb interaction within the 4f shell spreads the multilevel into broader 4f complexes below -2.5eV . The photoemission spectra obtained on YbRh2Si2 show a clear f -multilevel splitting into j=7/2 and 5/2 excitations. The interaction of the 4f7/2 levels close to the Fermi energy with two conduction bands shows visible hybridization gaps of 45 and 80meV, 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 LuRh2Si2 and YbRh2Si2 . The valency of Yb in YbRh2Si2 is estimated to be close to +3.
- Research Organization:
- SLAC National Accelerator Laboratory (SLAC)
- Sponsoring Organization:
- US DOE Office of Science (DOE SC)
- DOE Contract Number:
- AC02-76SF00515
- OSTI ID:
- 975789
- Report Number(s):
- SLAC-REPRINT-2010-071
- Journal Information:
- J. Phys. B46:164031, 2013, Journal Name: J. Phys. B46:164031, 2013
- Country of Publication:
- United States
- Language:
- English
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