Analysis of elastic properties of nc-BC2N

Abstract

The isothermal equations of state are applied to analyze the elastic properties of cubic shaped nanocrystalline BC2N under pressure. The equations of state (EOS) used are Usual Tait's EOS, Shanker EOS and its empirically modified form used earlier for the study of nanomaterials. It is noted that Usual Tait's equation yields results in between the results obtained using Shanker EOS and its modified form. The results for volume compression from the applied EOS's are compared with the experimental data available and the best results are found from modified Shanker EOS.A good agreement of theoretical results with the experimental proves the validity of the potential independent approach used for explaining the elastic properties of nanocrystalline BC2N. The variation in elastic parameters across the nanocrystal in BC2N under pressure is studied using Usual Tait's EOS and empirically modified Shanker EOS. Further, we have determined the variation in poisson's ratio with pressure using these theoretical models considered. The variation of elastic constants for cubic crystal, i.e. C11, C12 and C44, are also determined with pressure.