Theoretical Prediction for Thermo Elastic Properties of Nano CdSe (Rock Salt Phase)
Shivam Srivastava, Prachi Singh, Anjani K. Pandey, Chandra Kumar Dixit, Brijesh K. Pandey
Abstract
In this study, we investigated the thermoelastic properties of nano CdSe (rock salt phase) under varying pressure conditions using three different equations of state (EOSs): the Birch-Murnaghan 3rd EOS, the modified Lenard Jones EOS, and the Vinet-Rydberg EOS. Our objective was to determine whether these EOSs could accurately predict the behavior of nanomaterials by comparing the calculated results with experimental data. The pressure values obtained at different V/V0 ratios were found to be in good agreement with experimental data, suggesting that these EOSs are reliable for the calculation of nanomaterials properties. Additionally, we established the Gruneisen parameter, bulk modulus, and first pressure derivative of the bulk modulus to further characterize the behavior of nano CdSe.