Predictive study of thermodynamic properties of GeC

Details Predictive study of thermodynamic properties of GeC Predictive study of thermodynamic properties of GeC

Mar 2002

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2002njph....4....9s&link_type=abstract

New Journal of Physics, Volume 4, Issue 1, pp. 9 (2002).

Physics

6

Scientific paper

We present in this paper a molecular dynamics simulation of structural and thermodynamic properties of the hypothetical IV-IV compound GeC in the zinc-blende structure. This study is performed with the use of the well-tested Tersoff potential. Various physical quantities including elastic constants, Debye temperature, thermal expansion coefficient, heat capacity, and Grüneisen parameter are predicted. The comparison with the corresponding results for SiC is also discussed.

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