Elastic constants of tetrahedral amorphous carbon films: the effect of intrinsic stresses

Abstract

Atomic calculations, based on empirical potentials and the method of homogeneous deformation, are presented for the elastic properties of as-deposited amorphous carbon at 0 K. Several structural models of amorphous carbon generated by a realistic molecular-dynamics simulation of ion-beam deposition were studied. The models yield intrinsic compressive stresses of approximately 10 GPa. Here, we examine the dependence of the second-order elastic constants of amorphous carbon on the intrinsic stress, as well as on hydrostatic pressure. Different sets of elastic constants describing the behaviour of a solid under stress are considered. The non-linear effects are shown to become appreciable at a pressure of 10 GPa, whereas the difference between the elastic constants in the equations of motion and the Lagrangian elastic constants is not large.