Study the change of some physical and chemical properties of TiN under high pressure

Main Article Content

Nashwa Salhuddin Sultan
Raed Hashim AL-Saqa
Siham J. AL-Faris

Abstract

The pressure equation of state of Titanium nitrate TiN was investigated in the current work using two equations of state (EOS) from the literature, including the Barden EOS and the Birch-Murnaghan EOS, whereas the Bardeen EOS, which is based on interstellar atomic potentials, and the Birch-Murnaghan EOS, which is based on the solid mechanics notion of finite strain. The EOSs were processed to identify the impacts of high pressure on the bulk modulus B, Debye temperature θD and lattice constant a, which are characterizations of TiN. Ultimately, a fair comparison of the current findings with the first principle approximation and the generalized gradient approximation approach was conducted, and a perfect agreement was found. It was demonstrated that TiN EOS can be used to calibrate high pressure for chemical compound TiN .

Article Details

How to Cite
Nashwa Salhuddin Sultan, Raed Hashim AL-Saqa, & Siham J. AL-Faris. (2023). Study the change of some physical and chemical properties of TiN under high pressure. Tikrit Journal of Pure Science, 28(3), 69–73. https://doi.org/10.25130/tjps.v28i3.1427
Section
Articles

References

[1] Daviau, K., Fischer, R. A., Brennan, M. C., Dong, J., Suer, T. A., Couper, S., & Prakapenka, V. B. (2021). Equation of state of TiN at high pressures and temperatures: A possible host for nitrogen in planetary mantles. Journal of Geophysical Research: Solid Earth, 126(2), e2020JB020074.

[2] Yang R., Zhu C., Wei Q., Xiao K. and Du Z. (2017). First- principles study of optical, elastic anisotropic and thermodynamic properties of TiN under high temperature and high pressure. arXiv:1707.00676.

[3] F. Birch, “ Finite elastic strain of cubic crystals,” phys. Rev. 71 ; 809 – 824,1947.

[4] Jalal, S.K., Al-Sheikh, A.M. &Al-Saqa, R.H. (2021)."High Pressure Effects on the Phonon Frequency Spectrum of the Silicon Nanoparticale". Iran J. Sci. Technol. Trans Sci. 45, 391-396. https://doi. Org/10.1007/s40995-020-010-9.

[5] Bardeen J. (1938). Compressibilities of the alkali metals. J. Chemi. Phys., 6, 372.

[6] R. H. AL-Saqa, S. J. AL-Taie, (2019), "Theoretical Study of Mechanical, Elastic and Phonon Frequency Spectrum Properties for GaAs at High Pressure" , Journal of Siberian Federal University. Mathematics & Physics, 12, (3), 371–378.

[7] Preston R. S.,, Hanna S. S. and Helerle J. (1962), Mossbauer effect in metallic Iron. Phys. Rev., 128 (5), 2207-2218.

[8] Fei Qin, Shan Qin, and Vitali B. Prakapenka. (2020). High pressure behaviors and novel high-pressure phase of Si3N4 and TiN. Volumes 372–373, doi.org/10.1016/j.lithos.2020.105677.

[9] Radi I. O., Abdulsatter M. A. and Abdul-lettif M. (2007), Semi empirical LUC-INDO calculations on the effect of pressure on the electronic structure of diamond., Phy. Stat. sol. (b) 244, No.4, 1304-1317.

[10] Sirwan kareem Jalal, Mohammad Mahmood Uonis. & Raed H. Al-Saqa, (2022). High Pressure Calibration TiN Equation of State, international Journal of Thermodynamics, vol.26. .(www.sciencedirect.com/science/article.

[11] kamari M. and Dass N. (1956). On the pressure dependence of Gruneisen parameter in solids. Phys. State. Sol. (b), 133, 101-110.

[12] K. Benyelloul, Y. Bouhadda , M. Bououdina, N. Fenineche, H. Aourag and H. Faraoun. , Structural, electronic, optical and elastic properties of Mg3TH7 (T=Mn, Tc and Re) complex hydrides: First-principles calculations, Revue des Energies Renouvelables Vol. 18 N°4 (2015) 611 – 631.

[13] A. M. Al-sheikh, S. K. Jalal, R. H. Al-saqa, "Equation of State and Thermo Dynamic Behaviour of C60 under High Pressure", Universal Journal of Mechanical Engineering 8, (1), 59-65,2020. DOI: 10.13189/ujme.2020.080108

[14] Ali, A. M. , Alsaqa, R. & Sultan, N. S. (2022). Study of Thermodynamic Properties of Monoclinic Sulfur (Sβ) Under High Pressure Using Three Different Equations of State for the Treatment Scabies in Dermatology. International Journal of Thermodynamics,16.DOI:10.5541/ijot.1003950.

[15] J.M. Walsh, M.H. Rice, R.G. McQueen, F.L. Yarger, (1957), Shock-Wave Compressions of Twenty-Seven Metals. Equations of State of Metals, Phys. Rev. 108, 196–216. https://doi.org/10.1103/PhysRev.108.196.

[16] R.G. McQueen, S.P. Marsh(1960), Equation of State for Nineteen Metallic Elements from Shock‐Wave Measurements to Two Megabars, Journal of Ap. Ph. 31, 1253–1269. https://doi.org/10.1063/1.1735815