Abstract
We present results of a comprehensive and systematic study of localized and resonance electron states on a InP(1 1 0) zinc-blende surface by employing the first-principles full-potential self-consistent linear muffin tin orbital (LMTO) method. Intrinsic surface states appear in the fundamental energy gap region which shift towards the bulk valence and the conduction band region when the relaxation of the surface atoms are considered. Orbital characters of the surface states at Γ, X, M, X′ symmetry points have been identified. A detailed analysis of the surface localized and resonance states reveal that the present results obtained for the first time are in excellent agreement with the available experimental data.
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