MOLECULAR DYNAMICS FOR COVALENTLY BONDED SYSTEMS: APPLICATION TO SEMICONDUCTOR (110) SURFACE RELAXATION.
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A method has been devised for molecular dynamics computer simulations of covalently bonded systems, such as semiconductors. This method is applied to the time-dependent relaxation of the (110) surfaces of various III-V and II-VI semiconductors, starting from an 'ideal' unrelaxed surface. The final surface relaxation is found to be characterized by a rotational angle theta which varies from only about 25 degree to 30 degree for 12 different compounds.
author list (cited authors)
Sankey, O. F., & Allen, R. E.