Stress variations near surfaces in diamond-like amorphous carbon

Using Monte Carlo (MC) simulations within the empirical potential approach, we examine the effect produced by the surface environment on the atomic level stresses in tetrahedral amorphous carbon. Both the distribution of stresses and the distributions of sp(2) and sp(3) atoms as a function of depth from the surface are highly inhomogeneous. They show the same close relationship between local stress and bonding hybridization found previously in the bulk of the material. Compressive local stress favors the formation of sp(3) sites, while tensile stress favors the formation of sp(2) sites. (C) 2000 Elsevier Science B.V. All rights reserved.