Abstract
Pendry's one-step model is used to calculate angle-resolved normal incidence inverse photoemission spectra for a carbon deficient unrelaxed TiC(100) p(1 × 1) surface, as found experimentally. Both a bulk and a surface related peak with Γ 5(Δ 5) symmetry are present. The latter is identified as a Shockley surface state which is strongly attenuated by carbon vacancies, and exists only for vacancy concentrations well below 20%. Vacancies destroy the hybridization gap between the almost completely occupied lower and unoccupied upper Δ 5 bulk band, necessary for the existence of a surface state of Shockley type. Experimental evidence forthis particular behaviour is discussed.
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