Investigation of pressure effects on binary carbides ZC (Z = Ti, Zr and Hf): Promising candidates as a coating materials

This study has investigated different physical properties of binary metallic carbides, ZC (Z = Ti, Zr and Hf) at ambient and under pressure for the first time. These compounds possess a combination of high strength, excellent machinability, thermal stability, normally brittle, and very high hardness. Under Born stability criteria, mechanical stability was ensured. Poisson's ratio, Pugh's ratio, and Cauchy pressure conditions reveal the brittle nature of ZC. However, at 25 GPa, ZrC shows ductile behavior. The band structure reveals the metallic nature of ZC as the band crosses the fermi level. The reflectivity and optical absorption of ZC indicate that the compounds have potential for use in the electronic devices as well as a coating material. The thermal properties of ZC imply that all the studied compounds could be used as superior heat coating in a nuclear power plant at a radiation environment condition and an extremely high temperature application.