Hosung Seo, Abram L. Falk, et al.
Nature Communications
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.
Hosung Seo, Abram L. Falk, et al.
Nature Communications
Yuri Alexeev, Maximilian Amsler, et al.
Future Generation Computer Systems
Fabio Finocchi, Giulia Galli, et al.
Journal of Non-Crystalline Solids
Wanda Andreoni, Giulia Galli
Physics and Chemistry of Minerals