Molecular dynamics simulations using tight-binding methods or based on an e
mpirical potential derived from the tight-binding approximation have been e
mployed to describe atomic interactions at interfaces created by the macros
copic wafer bonding process. The bond order potentials including pi -bonds
are used to predict the interaction of diamond wafer surfaces: strong coval
ent bonding is possible for flat and clean C(0 0 1)-2 X I surfaces under ul
trahigh vacuum (UHV) conditions and at room temperature, C(1 1 1)-2 X 1 sur
faces will bond very weakly and debond already at moderate temperatures. (C
) 2001 Elsevier Science B.V. All rights reserved.