L.K. Wang, A. Acovic, et al.
MRS Spring Meeting 1993
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.
L.K. Wang, A. Acovic, et al.
MRS Spring Meeting 1993
Lawrence Suchow, Norman R. Stemple
JES
Julian J. Hsieh
Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films
Sang-Min Park, Mark P. Stoykovich, et al.
Advanced Materials