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Investigating the Validity of the New Equation of State for Predicting Pressure-Induced Changes in Halides at High Compression | Abstract

Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

ISSN: 0975-413X
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Abstract

Investigating the Validity of the New Equation of State for Predicting Pressure-Induced Changes in Halides at High Compression

Author(s): Abhay P. Srivastava* and Brijesh K. Pandey

The Srivastava-Pandey Equation of State (EOS) represents a significant advancement in condensed matter physics, particularly in its application to semiconductors. This equation incorporates the theory of lattice potential and the concept of volume dependence of the short-range force constant. This equation contains a third-order approximation of the lattice potential, representing a notable advancement. A comprehensive comparative analysis was conducted, comparing the Srivastava-Pandey equation of state with previously derived equations of state. The results indicated that both the Vinet equation of state and the Srivastava-Pandey equation of state were consistent with experimental data for halides under high compression, demonstrating the robustness of the research. In contrast, the Murnaghan equation of state, Born-Mie equation of state, Holzapfel equation of state and Birch-Murnaghan equation of state exhibited less accuracy in calculating pressure at high compression. It was observed that the Vinet equation of state did not consistently match experimental findings for specific halides such as NaBr and NaI. Conversely, the Srivastava-Pandey EOS consistently produced results that matched the experimental data for all halide samples, highlighting its reliability and accuracy. This establishes a solid foundation for further research and applications, providing the scientific community with the latest advancements in the field.


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