Study of nucleation of diamond on silicon substrate by ab-initio molecular dynamics

Tomoo Kayaba, Akinori Inoue, Masumi Saka, Hiroyuki Abe

Research output: Contribution to conferencePaperpeer-review

1 Citation (Scopus)

Abstract

The diamond film has been drawn attention for the electronic devices used in higher temperature or the coating of cutting bytes used for the super hard aluminum because high quality diamond film has recently been able to be synthesized cheaply from the gas phase, using the CVD (Chemical Vapor Deposition) method. Diamond thin film has been confirmed to be connected to the substrate at the place around the nuclei grown at the beginning of deposition. In this paper, in order to solve fundamental process of the nucleation of the diamond based on quantum mechanics, ab-initio molecular dynamics simulation of the nucleation of the diamond on the silicon substrate is conducted. Only one carbon atom is used for the simulation aiming to show the fundamental process of the nucleation. A model that consists of a silicon substrate and a carbon atom is provided. The Car-Parrinello method is used for ab-initio molecular dynamics calculation. The action of the carbon atom on and in the silicon substrate in the simulation, and the situation of the combination between the silicon atoms in the substrate and the carbon atom are shown.

Original languageEnglish
Pages83-85
Number of pages3
Publication statusPublished - 1998
EventProceedings of the 1998 ASME International Mechanical Engineering Congress and Exposition - Anaheim, CA, USA
Duration: 1998 Nov 151998 Nov 20

Other

OtherProceedings of the 1998 ASME International Mechanical Engineering Congress and Exposition
CityAnaheim, CA, USA
Period98/11/1598/11/20

ASJC Scopus subject areas

  • Electrical and Electronic Engineering
  • Mechanical Engineering

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