K.A. Chao
Physical Review B
We have fully characterized the (2 × 1) reconstruction of the diamond (1 1 1) surface via first priciples molecular dynamics simulations. We find that the reconstructed geometry consists of dimerized π-bonded chains. The dimerization parameter is 1.4% and there is no buckling. We also find multilayer relaxations and a great stability of the reconstructed geometry against thermal fluctuations up to {reversed tilde equals}2000 K. © 1993.
K.A. Chao
Physical Review B
M.A. Lutz, R.M. Feenstra, et al.
Surface Science
Corneliu Constantinescu
SPIE Optical Engineering + Applications 2009
Thomas H. Baum, Carl E. Larson, et al.
Journal of Organometallic Chemistry