Theoretical study of the atomic structure of silicon (211), (311), and (331) surfaces

The structural and energetic aspects of high-Miller-index Si surfaces were investigated by studying the (211), (311), and (331) vicinal surfaces. Several types of new structural models for (211) and (311) surfaces were examined. For (211) and especially (311) surfaces, dangling-bond densities appreciably lower than on the (111) surface can be obtained. The calculated surface energies of the ideal and reconstructed vicinal surfaces were, however, in all cases higher than that of the Si (111) -21 -bonded chain structure.