An electronic structure investigation of Si-terminated 6H-SiC(0001) is
reported. The valence-band structure is investigated using photoemiss
ion and synchrotron radiation. Recorded valence-band spectra are compa
red with the partial densities of states obtained in a full-potential
linearized augmented plane-wave band-structure calculation. Lower-lyin
g C 2s states give the dominant contribution in spectra recorded at hi
gher photon energies, while higher-lying hybridized C 2p and Si 3s and
3p states dominate at lower photon energies. Assignment of different
structures is made from the variation observed in relative intensity w
ith photon energy. The overall agreement between calculated and experi
mental results is quite satisfactory considering that the experimental
studies were conducted on the root 3x root 3-R30 degrees and 6 root 3
x6 root 3-R30 degrees reconstructed surfaces, while the calculated res
ults represent the bulk density of states. Significant differences are
observed, however. A surface state is identified on the root 3 surfac
e, at 1.3 eV below the Fermi level, and its origin is discussed.