W Sekkal and A Zaoui 2002 New J. Phys. 4 9 doi:10.1088/1367-2630/4/1/309
W Sekkal1,2 and A Zaoui2,3
Show affiliationsWe 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.
65.40.De Thermal expansion; thermomechanical effects
63.70.+h Statistical mechanics of lattice vibrations and displacive phase transitions
Issue 1 (March 2002)
Received 7 December 2001, in final form 24 January 2002
Published 5 March 2002
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