Mechanical stability criterions of cubic Na2He up to 500 GPa

  • Authors

    • Salah Daoud Bordj Bou Arreridj University, Algeria
    • Hamza Rekab-Djabri Faculty of Nature and Life Sciences and Earth Sciences, Akli Mohand-Oulhadj University, 10000, Bouira, Algeria
    2023-11-03
    https://doi.org/10.14419/p9wv8x37

  • Abstract

    The Cauchy pressure Cp was usually used to explain the atomic bonding character in a compound, while the mechanical stability criterions are usually used to study the stability of the structure under external compression. Using the elastic constants reported recently by Zahidur Rahaman et al. in Chinese Journal of Physics, 56 (2018) 231-237, as well as different mathematical formula, we reported on the Cauchy violation and the generalized mechanical stability criterions of cubic Na2He compound under high hydrostatic compression from 100 GPa to 500 GPa. For pressures ranging from 100 to 500 GPa, all values of both Cauchy pressure Cp and the generalized mechanical stability criteria G are negative. In addition we calculated the Debye temperature θD of Na2He compound using Siethoff’s approach. The results obtained are slightly lower than those obtained from the Debye approach reported by Zahidur Rahaman et al.

    Author Biography

    • Hamza Rekab-Djabri , Faculty of Nature and Life Sciences and Earth Sciences, Akli Mohand-Oulhadj University, 10000, Bouira, Algeria

       

       

  • References

    1. Md. Zahidur Rahaman, Md. Lokman Ali, and Md. Atikur Rahman, "Pressure-dependent mechanical and thermodynamic properties of newly discovered cubic Na2He", Chinese Journal of Physics, Vol. 56, No. 1, (2018), pp. 231–237. https://doi.org/10.1016/j.cjph.2017.12.024.
    2. X. Dong, A. Oganov, A. Goncharov et al. "A stable compound of helium and sodium at high pressure", Nature Chemistry, Vol. 5, No. 9, (2017), pp. 440–445. https://doi.org/10.1038/nchem.2716.
    3. S. Daoud, "Comment on the effect of pressure on the physical properties of Cu3N ", Physica Scripta, Vol. 91, No. 5, (2016), pp. 057001 (2 pages). https://doi.org/10.1088/0031-8949/91/5/057001.
    4. S. Daoud and H. Rekab-Djabri, "Bulk modulus of CaO under high pressure up to 65 GPa ", International Journal of Advanced Chemis-try, Vol. 10, No. 2, (2022), pp. 135-137. https://doi.org/10.14419/ijac.v10i2.32191.
    5. N. Bioud, X-W. Sun, S. Daoud, T. Song, R. Khenata, and S. Bin Omran, "High-temperature and high-pressure physical properties of CuI with zinc-blende phase by a systematic ab nitio investigation", Optik, Vol. 155, No. 2, (2018), pp. 17 – 25.https://doi.org/10.1016/j.ijleo.2017.11.006.
    6. S. Daoud, and N. Bioud, "Structural properties of (B3) TlP under pressure", International Journal of Physical Research, Vol. 2, No. 2, (2014), pp. 50-55. https://doi.org/10.14419/ijpr.v2i2.3100.
    7. S. Daoud, R. Mezouar, and A. Benmakhlouf, "Equation of state and some other properties of rock-salt AlN ", International Journal of Physical Research, Vol. 6, No. 1, (2018), pp. 49-52. https://doi.org/10.14419/ijpr.v6i1.10754.
    8. S. Daoud and A. Latreche, "Comment on density functional investigation on electronic structure and elastic properties of BeX at high pressure ", Indian Journal of Physics, Vol. 90, No 11, (2016), pp. 1243-1244. https://doi.org/10.1007/s12648-016-0863-4.
    9. S. Amari and S. Daoud, "Structural phase transition, elastic constants and thermodynamic properties of TmAs: An ab-initio study", Computational Condensed Matter, Vol. 33, (2022), pp. e00764 (8 pages). https://doi.org/10.1016/j.cocom.2022.e00764.
    10. A. Benamrani, S. Daoud, and P. K. Saini, " Structural, elastic and thermodynamic properties of ScP compound: DFT study ", Journal of Nano- and Electronic Physics, Vol. 13, No 1, (2021), pp. 01008(5pp). https://doi.org/10.21272/jnep.13(1).01008.
    11. P. Rodríguez Hernández , N. Hadj Haffida and A. Muñoz, "Ab Initio study of the mechanical stability criteria in BeSe and BeTe under hydrostatic pressure", Physic Statistic Solidi B, Vol. 211, No. 1, (1999), pp. 23–28. https://doi.org/10.1002/(SICI)1521-3951(199901)211:1<23::AID-PSSB23>3.0.CO;2-O.
    12. S. Daoud and N. Bioud, "Anisotropy and pressure effect on the elastic and mechanical properties of (B3) BN", Ukrainian Journal of Physics, Vol. 59, No. 4, (2014), pp. 418 – 425.https://doi.org/10.15407/ujpe59.04.0418.
    13. C.S. Zha, H.K. Mao and R.J. Hemley, "Elasticity of MgO and a primary pressure scale to 55 GPa", Proceedings of the National Acade-my of Sciences of the United States of America, Vol. 97, No. 25, (2000), pp.13494–13499. https://doi.org/10.1073/pnas.240466697.
    14. M. Sarwan and S. Singh, "Structural, elastic and mechanical properties of group III-nitrides in zinc-blend structure", Journal of Alloys and Compounds, Vol. 550, No. 2, (2013), pp. 150–158.https://doi.org/10.1016/j.jallcom.2012.09.097.
    15. K. Mizushima, S. Yip and E. Kaxiras, "Ideal crystal stability and pressure-induced phase transition in silicon", Physical Review B, Vol. 50, (1994), pp.14952 (8 pages). https://doi.org/10.1103/PhysRevB.50.14952.
    16. S. Daoud, K. Loucif, N. Bioud, N. Lebga, and L. Belagraa, "Effect of hydrostatic pressure on the structural, elastic and electronic prop-erties of (B3) boron phosphide", Pramana Journal of Physics, Vol. 79, (2012), pp. 95–106. https://doi.org/10.1007/s12043-012-0283-8.
    17. S. Daoud, N. Bioud, N. Lebga, L. Belagraa and R. Mezouar, "Pressure effect on structural, elastic and electronic properties of (B3) BSb compound", Indian Journal of Physics, Vol. 87, (2013),pp. 355–362. https://doi.org/10.1007/s12648-012-0231-y.
    18. S. Daoud, N. Bioud, and N. Lebga, "Structural, elastic, piezoelectric and electronic properties of (B3) AlP compound under pressure", Journal of Optoelectronic and Advanced Materials, Vol. 16, Iss. 1-2, (2014), pp. 212–219.https://joam.inoe.ro/articles/structural-elastic-piezoelectric-and-electronic-properties-of-b3-alp-compound-under-pressure/fulltext.
    19. N. Bioud, "Debye temperature of CaO under high pressure up to 65.2 GPa ", International Journal of Advanced Chemistry, Vol. 11, No. 1, (2023), pp. 6-9. https://doi.org/10.14419/ijac.v11i1.32228.
    20. S. Daoud, "Sound velocities and Debye temperature of BeSe under high pressure up to 50 GPa", International Journal of Physical Re-search, Vol. 5, No. 1, (2017), pp. 7-10. https://doi.org/10.14419/ijpr.v5i1.7013.
    21. S. Amari, H. Rekab-Djabri, and S. Daoud, "Mechanical, thermal, electronic, and magnetic properties of Ca0.75Er0.25S alloy from a DFT approach: a promising material for spintronic applications", Materials Today Communications, Vol. 33, (2022), pp. 104237 (9 pages). https://doi.org/10.1016/j.mtcomm.2022.104237.
    22. S. Daoud, A. Latreche and A. Bencheikh, "Comment on Debye temperature and melting point of II-VI and III-V semiconductors", Crystal Research and Technology, Vol. 51(1), (2016) 115-116. https://doi.org/10.1002/crat.201500132.
    23. S. Daoud, "Correlation study of optical and mechanical properties of BAs material and its experimental energy gap ", International Journal of Physical Research: Vol. 5, No.2, (2017), pp. 79 – 82. https://doi.org/10.14419/ijpr.v5i2.8314.
    24. H. Siethoff, "Debye temperature, self-diffusion and elastic constants of intermetallic compounds", Intermetallics, Vol. 5, No. 8, (1997), pp. 625-632. https://doi.org/10.1016/S0966-9795(97)00037-X.
    25. N. Bioud and N. Benchiheub, "Pressure effect on some physical properties of calcium oxide material ", Chemical Physics Impact, Vol. 7, (2023), pp. 100342 (5 pages). https://doi.org/10.1016/j.chphi.2023.100342.
    26. S. Daoud, "Mass density, sound velocity and Debye temperature of CaTe semiconductor under high compression ", International Journal of Scientific World, Vol. 9, No. 1, (2023), pp. 8-11.
    27. Y. Deng, O-H. Jia, X-R. Chen, and J. Zhu, "Phase transition and elastic constants of CaO from first-principle calculations", Physica B, Vol. 392, Issues 1–2, (2007) pp. 229 – 232. https://doi.org/10.1016/j.physb.2006.11.023.
    28. D. Varshney, V. Rathore, R. Kinge, and R. K. Singh, "High-pressure induced structural phase transition in alkaline earth CaX (X=S, Se and Te) semiconductors: NaCl-type (B1) to CsCl-type (B2)", Journal of Alloys and Compounds, Vol. 484, No 1-2, (2009), pp. 239–245. https://doi.org/10.1016/j.jallcom.2009.04.022.
    29. S. G. Zhou, M. L. Tian, Y. Xu, C. Zhang, and Y. Cao, " First-principles study of the elastic, thermal and optical properties of α-PbO2 and β-PbO2", Indian Journal of Physics, Vol. 96, No. 12, (2022), pp. 3449–3460. https://doi.org/10.1007/s12648-022-02305-3.
    30. S. Daoud, "Thermal properties of cubic zincblende thallium-phosphide from quasi-harmonic Debye model approximation", Interna-tional Journal of Physical Research, Vol. 5, No. 1, (2017), pp. 14-16. https://doi.org/10.14419/ijpr.v5i1.7093.
    31. L. Qi, Y. Jin, Y. Zhao, X. Yang, H. Zhao, and P. Han, "The structural, elastic, electronic properties and Debye temperature of Ni3Mo under pressure from first-principles", Journal of Alloys and Compounds, Vol. 621, (2015), pp. 383–388. http://dx.doi.org/10.1016/j.jallcom.2014.10.015.

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  • How to Cite

    Daoud, S., & Rekab-Djabri , H. (2023). Mechanical stability criterions of cubic Na2He up to 500 GPa. International Journal of Scientific World, 9(2), 16-19. https://doi.org/10.14419/p9wv8x37