The 6H-(00•1) (v3 x v3)R30º surface exhibited one half-filled localized dangling-bond orbital per surface unit cell. Its electronic structure could be accurately described as being that of a Mott-Hubbard insulator. Its spectrum was investigated here by means of spin-polarized ab initio quasi-particle calculations. The resultant band structure exhibited one occupied and one empty surface band; separated by a direct band-gap of 1.95eV. Because the band gap in the spectrum of the Hubbard model was given directly by the on-site Coulomb-interaction parameter of the dangling-bond orbital, the present results permitted the value of the Coulomb-interaction parameter to be reliably determined as being equal to 1.95eV.

U Parameter of the Mott-Hubbard Insulator 6H-SiC(0001)-(v3 x v3)R30º - an Ab Initio Calculation M.Rohlfing, J.Pollmann: Physical Review Letters, 2000, 84[1], 135-8