Thermal Properties of CdO within Mie-Grüneisen Hypothesis

Abstract

Cadmium Oxide (CdO) is an attractive semiconductor due to its large number of industrial applications such as in the production of solar cells, liquid‐crystal displays, electrochromic devices, LED, etc. Theoretically, complete ab initio investigations at elevated temperatures are restricted due largely to computational complexity of much body nature. We have therefore used an empirical consistent‐iterative scheme to include thermal effect by combining the universal equation of state (UEOS) to Mie‐Grüneisen hypothesis. It is demonstrate that from the knowledge of cohesive properties at ambient condition various thermodynamic properties can be predicted at finite temperatures and pressures. We have calculated the isothermal equation of state, thermal expansion, thermal pressure, heat capacity at constant volume, and temperature variation of isothermal bulk modulus. Result so obtain are compared and analyzed with recent ab initio results as well as experimental data. Also, we have calculated the melting curve for CdO using Gilivarry law. Due to unavailability of other results for high‐P melting curve for CdO, we compared our prediction with corresponding results for elemental Cadmium. Based on this comparison, we can infer qualitative understanding on the effect of bonding on the melting temperature of the studied oxide.