Time development during growth and relaxation of amorphous carbon films. Tight-binding molecular dynamics study

K. Kohary, S. Kugler

Research output: Contribution to journalArticle

Abstract

The growth of amorphous carbon (a-C) thin film on a [1 1 1] diamond surface has been studied by a tight-binding (TB) molecular dynamics (MD) technique. Six different three-dimensional networks were constructed with periodic boundary conditions in two dimensions. Time-dependent non-equilibrium growth was simulated with atom-by-atom deposition and it was described as in real experiments without an artificial model of energy dissipation. An additional seventh structure was constructed by a melt quenching procedure which is widely used in computer generations of amorphous networks. The final structures consist of over 100 atoms. Densities, radial distribution functions (RDFs), coordination numbers, bond angle distributions and ring statistics were analyzed. During relaxation the temperature in the amorphous film decreases with stretched-exponential function. The time dependence of bond length and bond angle deviations were also investigated.

Original languageEnglish
Pages (from-to)824-829
Number of pages6
JournalJournal of Non-Crystalline Solids
Volume299-302
Issue numberPART 2
DOIs
Publication statusPublished - Apr 2002

Fingerprint

Carbon films
Amorphous carbon
Amorphous films
Molecular dynamics
molecular dynamics
Atoms
carbon
atoms
Diamond
Exponential functions
exponential functions
Bond length
coordination number
radial distribution
time dependence
Distribution functions
Quenching
Diamonds
Energy dissipation
energy dissipation

ASJC Scopus subject areas

  • Ceramics and Composites
  • Electronic, Optical and Magnetic Materials

Cite this

Time development during growth and relaxation of amorphous carbon films. Tight-binding molecular dynamics study. / Kohary, K.; Kugler, S.

In: Journal of Non-Crystalline Solids, Vol. 299-302, No. PART 2, 04.2002, p. 824-829.

Research output: Contribution to journalArticle

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