Powder Metallurgy and Metal Ceramics

, Volume 43, Issue 9, pp 520–524 | Cite as

The atomic pattern and electron structure of amorphous and microcrystalline sic

  • V. I. Ivashchenko
  • V. I. Shevchenko
  • L. A. Ivashchenko
  • O. K. Porada


Structural features have been identified for microcrystalline silicon carbide (µc-SiC), and also for the amorphous analog (a-SiC) within the framework of molecular dynamics by the use of the empirical Tersoff potential. Detailed analyses have been performed for µc-SiC on the crystallite, grain boundaries, and amorphous matrix. The amorphous matrix in µc-SiC is more ordered than the amorphous structure in a-SiC. Careful studies have been made of the state densities in the two materials on the basis of an sp3s* tight-binding scheme. A possible mechanism has been proposed for the effects of homopolar bonds and other coordination defects on the electronic states and cohesion. The results are compared with those obtained by other researchers.


silicon carbide amorphous microcrystalline coordination defect state density molecular dynamics and strong coupling model 


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. 1.
    Y. Hamakawa, “A technological evolution from bulk crystalline age to multilayer thin film age in solar photovoltaics,” Renewable Energy, 15, 22–31 (1998).Google Scholar
  2. 2.
    U. Schmid, M. Eickhoff, Ch. Richter, et al., “Etching characteristics and mechanical properties of a-SiC:H films,” Sensors and Actuators, A94, 87–94 (2001).Google Scholar
  3. 3.
    L. Calcagno, A. Hallen, R. Martins, and W. Skorupa, Amorphous and Crystalline Silicon Carbide: Materials and Applications, Elsevier, Amsterdam (2001).Google Scholar
  4. 4.
    F. Finocchi, G. Galli, M. Parrinello, and C. M. Bertoni, “Microscopic structure of amorphous covalent alloys probed by ab initio molecular dynamics: SiC,” Phys. Rev. Lett., 68, 3044–3047 (1992).CrossRefGoogle Scholar
  5. 5.
    P. C. Kelires, “Short-range order and energetics of disordered silicon-carbide alloys,” Phys. Rev. B, 46, 10048–10061 (1992).CrossRefGoogle Scholar
  6. 6.
    P. C. Kelires and P. J. H. Denteneer, “Theory of electronic properties of amorphous silicon-carbon alloys: Effects of short-range disorder,” Solid State Comm., 87, 851–855 (1993).Google Scholar
  7. 7.
    J. Tersoff, “Chemical order in amorphous silicon carbide,” Phys. Rev. B, 49, 16349–16352 (1994).Google Scholar
  8. 8.
    V. I. Ivashchenko and V. I. Shevchenko, “Effects of short-range disorder upon electronic properties of a-SiC alloys,” Appl. Surf. Sci., 184, 137–143 (2001).Google Scholar
  9. 9.
    P. Vogl, H. P. Hjalmarson, and J. D. Dow, “A semi-empirical tight-binding theory of the electronic structure of semiconductors,” J. Phys. Chem. Sol., 44, 365–378 (1983).Google Scholar
  10. 10.
    P. C. Kelires, “Structural properties of amorphous form of carbon,” Phys. Rev. B, 47, 1829–1839 (1993).Google Scholar

Copyright information

© Springer Science+Business Media, Inc. 2004

Authors and Affiliations

  • V. I. Ivashchenko
    • 1
  • V. I. Shevchenko
    • 1
  • L. A. Ivashchenko
    • 1
  • O. K. Porada
    • 1
  1. 1.Institute for Problems of Materials ScienceNational Academy of Sciences of UkraineKiev

Personalised recommendations