About cookies on this site Our websites require some cookies to function properly (required). In addition, other cookies may be used with your consent to analyze site usage, improve the user experience and for advertising. For more information, please review your options. By visiting our website, you agree to our processing of information as described in IBM’sprivacy statement. To provide a smooth navigation, your cookie preferences will be shared across the IBM web domains listed here.
Paper
Reconstruction of the diamond (111) surface
Abstract
The (2×1) reconstruction of the (111) surface of diamond has been characterized via a series of first principles molecular dynamics calculations. The reconstructed clean surface is found to consist of dimerized -bonded chains with no buckling and to be stable against thermal fluctuations up to about 2500 K. Our results for the atomic and electronic structure agree well with the experimental information available. © 1992 The American Physical Society.