Hostname: page-component-78c5997874-ndw9j Total loading time: 0 Render date: 2024-11-19T04:01:44.170Z Has data issue: false hasContentIssue false
  • English
  • Français

Effects of pressure and temperature on sp3 fraction in diamondlike carbon materials

Published online by Cambridge University Press:  31 January 2011

Zhanrong Zhong ,
Xinwei Wang  and
Xuhui Feng
Zhanrong Zhong
Affiliation:
Department of Mechanical Engineering, The University of Nebraska–Lincoln, Lincoln, Nebraska 68588-0656; and Shenzhen Institute of Advanced Integration Technology, Chinese Academy of Sciences/The Chinese University of Hong Kong, People’s Republic of China
Xinwei Wang*
Affiliation:
Department of Mechanical Engineering, The University of Nebraska–Lincoln, Lincoln, Nebraska 68588-0656
Xuhui Feng
Affiliation:
Department of Mechanical Engineering, The University of Nebraska–Lincoln, Lincoln, Nebraska 68588-0656
*
a)Address all correspondence to this author. e-mail: [email protected]
Get access

Abstract

In this work, formation of diamond coating is studied using large-scale molecular dynamics (MD) simulation. The diamond coating is studied to explore how and to what extent the temperature and pressure affects the deposition structure. To analyze the coating results, the radial distribution function and the fraction of diamond (sp3 bonds) is calculated. It is found that the sp3 fraction in the deposition structure increases with the temperature and pressure. When the pressure becomes large enough (10 GPa), the effect of the pressure on the coating structure is quite small and the sp3 fraction tends to be constant.

Keywords

DiamondSimulationStructural
Type
Articles
Information
Journal of Materials Research , Volume 22 , Issue 10 , October 2007 , pp. 2770 - 2775
Copyright
Copyright © Materials Research Society 2007

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1Ishikawa, J., Takeiri, Y., Ogawa, K.Takagi, T.: Transparent carbon film prepared by mass-separated negative-carbon-ion-beam deposition. J. Appl. Phys. 61, 2509 1987CrossRefGoogle Scholar
2McKenzie, D.R., Muller, D.Pailthorpe, B.A.: Compressive-stress-induced formation of thin-film tetrahedral amorphous carbon. Phys. Rev. Lett. 67, 773 1991CrossRefGoogle ScholarPubMed
3Pappas, D.L., Saenger, K.L., Bruley, J., Krakow, W., Cuomo, J.J., Gu, T.Collins, R.W.: Pulsed laser deposition of diamond-like carbon films. J. Appl. Phys. 71, 5675 1992CrossRefGoogle Scholar
4Wei, Q., Pan, Z.Y., Li, Z.J., Zhang, Z.X., Zang, L.K., Wang, Y.X., Ye, X.S., Bai, T., Wang, C.Liu, J.R.: Impact-energy dependence of atomic mobility in diamond-like carbon film growth. Phys. Rev. B 68, 235408 2003CrossRefGoogle Scholar
5Du, A.J., Pan, Z.Y., Ho, Y.K., Huang, Z.Zhang, Z.X.: Memory effect in the deposition of C20 fullerenes on a diamond surface. Phys. Rev. B 66, 035405 2002CrossRefGoogle Scholar
6Jäger, H.U.Albe, K.: Molecular-dynamics simulations of steady-state growth of ion-deposited tetrahedral amorphous carbon films. J. Appl. Phys. 88, 1129 2000CrossRefGoogle Scholar
7Tersoff, J.: Empirical interatomic potential for carbon, with applications to amorphous carbon. Phys. Rev. Lett. 61, 2879 1988CrossRefGoogle ScholarPubMed
8Tersoff, J.: New empirical approach for the structure and energy of covalent systems. Phys. Rev. B 37, 6991 1988CrossRefGoogle ScholarPubMed
9Brenner, D.W.: Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films. Phys. Rev. B 42, 9458 1990CrossRefGoogle ScholarPubMed
10Allen, M.P.Tildesley, D.J.: Computer Simulation of Liquids Clarendon Press Oxford 1987Google Scholar
11Tamor, M.A., Vassell, W.C.Carduner, K.R.: Atomic constraint in hydrogenated “diamond-like” carbon. Appl. Phys. Lett. 58, 592 1991CrossRefGoogle Scholar
12Grill, A.Patel, V.: Characterization of diamond-like carbon by infrared spectroscopy. Appl. Phys. Lett. 60, 2089 1992CrossRefGoogle Scholar
13Li, W.J., Song, Z.R., Yu, Y.H., Wang, X., Zou, S.C.Shen, D.S.: sp3/sp2 ratio in amorphous-carbon thin film by spectroscopic ellipsometry. J. Appl. Phys. 94, 284 2003CrossRefGoogle Scholar
14Chen, D., Jing, G.Y.Wei, A.: The determination of sp3 fraction in tetrahedral amorphous carbon films by Raman and x-ray photoelectron spectroscopy. Int. J. Mod. Phys. B 16, 4413 2002CrossRefGoogle Scholar