Abstract
Diamond grain tilting, one of the central problems of diamond heteroepitaxy on silicon (001) surface, has been studied by means of atomic-force and high-resolution electron microscopic observations, and by theoretical simulation using the molecular-orbital method. It is shown that, due to interface mismatch-induced local lattice strain and three-dimensional stacking, diamond nucleation in small areas results naturally in grain tilting. For more perfect heteroepitaxy, nucleation with reduced silicon surface damage and over relatively large lateral domains is required.
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