Electronic Band Structure And Kondo Coupling in YbRh(2)Si(2)
Journal Article
·
· Phys.Rev.B76:035106,2007
OSTI ID:916975
The electronic band structure of YbRh{sub 2}Si{sub 2} 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 LuRh{sub 2}Si{sub 2} are used as reference to identify electronic bands with no f symmetry. The calculated band structure manifests a 4f{sup 13} spin-polarized configuration leaving the unoccupied state at 1.4 eV 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 -2.5 eV. The photoemission spectra obtained on YbRh2Si2 show a clear f-multilevel splitting into j=7/2 and 5/2 excitations. The interaction of the 4f{sub 7/2} levels close to the Fermi energy with two conduction bands shows visible hybridization gaps of 45 and 80 meV, 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 LuRh{sub 2}Si{sub 2} and YbRh{sub 2}Si{sub 2}. The valency of Yb in YbRh{sub 2}Si{sub 2} is estimated to be close to +3.
- Research Organization:
- Stanford Linear Accelerator Center (SLAC)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC02-76SF00515
- OSTI ID:
- 916975
- Report Number(s):
- SLAC-REPRINT-2007-195
- Journal Information:
- Phys.Rev.B76:035106,2007, Journal Name: Phys.Rev.B76:035106,2007 Vol. 76
- Country of Publication:
- United States
- Language:
- English
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