Molecular-Dynamics Study of the Fundamental Processes Involved in Subplantation of Diamondlike Carbon

S. Uhlmann; Th. Frauenheim; Y. Lifshitz

doi:10.1103/PhysRevLett.81.641

Molecular-Dynamics Study of the Fundamental Processes Involved in Subplantation of Diamondlike Carbon

S. Uhlmann, Th. Frauenheim, and Y. Lifshitz

Phys. Rev. Lett. 81, 641 – Published 20 July 1998

Abstract

Molecular-dynamics simulations of diamondlike carbon film growth from carbon atoms with kinetic energies between 10 and 100 eV are performed. The interatomic forces are calculated by means of an efficient density-functional based tight-binding scheme. The results show that surface processes are dominant for deposition below 30 eV, while subsurface processes govern the structure formation for higher energies. The mechanisms leading to a composite structure of these films characterized by a deep ${sp}^{3}$ rich dense layer below a defective surface layer are revealed.

Received 21 November 1997

DOI:https://doi.org/10.1103/PhysRevLett.81.641

Authors & Affiliations

S. Uhlmann^* and Th. Frauenheim^†

Technische Universitaet, Institut fuer Physik, 09107 Chemnitz, Germany

Y. Lifshitz

Soreq NRC, Yavne 81800, Israel

^*Present address: Dept. of Materials Science and Engineering, University of Utah, Salt Lake City, UT 84112.
^†Present address: Fachbereich Physik, Universität-GH Paderborn, D-33098 Paderborn, Germany.