High-Pressure Calibration TiN Equation of State

Abstract

High pressure is becoming an interesting area of research for originating vital properties in crystalline solids. In the present study, the pressure equation of the state of TiN was investigated by employing various equations of state (EoS) presented in the literature, such as Dodson EoS, Barden EOS, Birch-Murnaghan (B-M) EoS. The EoSs were processed to find the high-pressure effects on the characterizations of TiN such as volume compression ratio, bulk modulus B, Grüneisen parameter, and phonon frequency spectrum. It was shown that a gigantic pressure results in a significant reduction in the volume of the TiN material, and the volume compression ratio reduction, is almost the same for the existing equations of state and the comparative literature results up to a pressure of 80 GPa. The maximum pressure difference is observed to be 4.85 GPa. over the entire pressure of 120GPa. Increasing the bulk modulus with high pressure was expected by the present EoSs, and up to the pressure of about 60 GPa, all curves of bulk modulus are matched with each other. Eventually, a fair comparison has been made between the present results and the first principle approximation along with the generalized gradient approximation method in which a perfect agreement was observed. Finally, the feasibility of TiN EoS as a standard pressure calibration was demonstrated.

Keywords

• Equation of state EOS
• Volume compression ratio Vp/Vo
• Bulk modulus B
• Grüneisen parameter
• phonon density of state.

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