Of the relaxed, graphitic, buckled, and π-bonded-chain-type models for the diamond (111)-(2 x 1) surface, only the chain model appeared to account for the measured surface-band dispersion. The interaction of dangling orbitals which determines the dispersion was large in the chain model because only in this model were the dangling bonds located on nearest-neighbour atoms. The data also suggest a dimerization of the chains.

New Dimerized-Chain Model for the Reconstruction of the Diamond (111)-(2 x 1) Surface. K.C.Pandey: Physical Review B, 1982, 25, 4338-41