High Pressure Effects on the Structural Properties of GaN Compound Using Equations of State

Year 2022, Volume: 25 Issue: 1, 79 - 84, 01.03.2022

Siham J. Al-faris Raed H. Al-saqa Huda M. Mohhamed Sırwan Kareem

https://doi.org/10.5541/ijot.960849

Cited By: 11

https://izlik.org/JA93ND87TG

Abstract

The present study is a theoretical calculation for the effects of high pressure on thermodynamic properties on GaN up to 40Gpa at room temperature. Volume compression ratio (V0/Vp), lattice constant (a) and elastic bulk modulus(B) have been established. Furthermore, lattice frequencies and disruptions function by analyzing phonon frequency spectrum (PFS) at (0 K). The entire calculations rely on using of two equation of state (EOS) "Birch-Murnaghan and modified Lennard-Jones" equation of state and with the integration of Grüneisen approximation theory. From the considered equations of state, formulation of bulk modulus was derived, that predicts a rising trend of bulk modulus. The large bulk modulus value of GaN has made a small fraction of change in volume (less than 15%) of the material even under an extreme pressure up to 45Gpa. It was also found that the results of phonon frequency spectrum obtained from Birch-Murnaghan equation of state in a better agreement with the experimental data than that of modified Lennard-Jones equation of state. Given that the Birch-Murnaghan equation of state developed according to Eulerian strain theory accounted as a universal equation of state. Moreover, good agreement between theoretically present calculations and experiment data of phonon frequency spectrum, reveals the validity of the equations of state used in the present study.

Keywords

compression volume; , Bulk modulus; , lattice constant; , phonon frequency spectrum;

Thanks

As author I would like to thank the editorial board of the international journal of thermodynamics for their support to submit the article to review, we hope that the manuscript brings much achievement to benefit the journal and fulfils the criteria of the journal to guarantee its publication.

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