Study of Structural, Elastic Properties and their Pressure Dependence in IrN Compound

Abstract:

A theoretical study of the elastic behavior in IrN compound using effective interionic interaction potential is carried out. The estimated values of phase transition pressure and the vast volume discontinuity in pressure-volume (PV) phase diagram indicate the structural phase transition from zinc blende (B3) to CsCl structure (B2). C₁₁, C₁₂ and C₄₄ increase nearly linearly with pressure. At phase transition pressure IrN has shown a discontinuity in second order elastic constants, which is in accordance with the first-order character of the phase transition.

• Periodical: Journal of Metastable and Nanocrystalline Materials (Volume 28)
• Pages: 16-22
• DOI: https://doi.org/10.4028/www.scientific.net/JMNM.28.16
• Online since: December 2016
• Authors: Shubhangi Soni, Arvind Jain, Kamal Kumar Choudhary, Netram Kaurav
• Keywords: Elastic Properties, High Pressure, Structural Phase Transition

References

[1] L. E. Toth, Transition Metal Carbides and Nitrides, Academic Press, New York, (1971).

[2] H. Yang, H. Al-Brithen, A.R. Smith, J.A. Borchers, R.L. Cappelletti, M.D. Vaudin, Appl. Phys. Lett. 78 (2001) 3860.

DOI: 10.1063/1.1378800

[3] S. Veprˇek, J. Vac, Sci. Technol. A 17 (1999) 2401.

[4] E. Gregoryanz, C. Sanloup, M. Somayazulu, J. Badro, G. Fiquet, H. -K. Mao, R. Hemeley, Nat. Mater. 3 (2004) 294.

DOI: 10.1038/nmat1115

[5] J. C. Crowhurst, A. F. Goncharov, B. Sadigh, C. L. Evans, P. G. Morrall, J. L. Fereira and A. J. Nelson, Science 311 (2006) 1275.

[6] A. F. Young, C. Sanloup, E. Gregoryanz, S. Scandolo, R. J. Hemley and H. K. Mao, Phys. Rev. Lett. 96 (2006) 155501.

[7] J. C. Crowhurst, A. F. Goncharov, B. Sadigh, J. M. Zaug, D. Aberg, Y. Meng and V. B. Prakaenka, J. Mater. Res. 23 (2008) 1–5.

DOI: 10.1557/jmr.2008.0027

[8] W. Chen and J. Z. Jiang, J. Alloys Compd. 499 (2010) 243.

[9] J. Uddin and G. E. Scuseria, Phys. Rev. B 72 (2005) 035101.

[10] M. B. Kanoun and S. Goumri-Said, Phys. Rev. B 72 (2005) 113103.

[11] R. Yu and X.F. Zhang, Appl. Phys. Lett. 86 (2005) 121913.

[12] R. Yu and X. F. Zhang, Phys. Rev. B 72 (2005) 054103.

[13] R. Yu, Q. Zhan and X. F. Zhang, Appl. Phys. Lett. 88 (2006) 051913.

[14] A. F. Young, J. A. Montoya, C. Sanloup, M. Lazzeri, E. Gregoryanz and S. Scandolo, Phys. Rev. B 73 (2006) 153102.

[15] C. Z. Fan, S. Y. Zeng, L. X. Li, Z. J. Zhan, R. P. Liu, W. K. Wang, P. Zhang and Y. G. Yao, Phys. Rev. B 74 (2006) 125118.

[16] R. Yu, Q. Zhan and C. De Jonghe, Angew. Chem. Int. Ed. 46 (2007) 1136.

[17] J. A. Montoya, A. D. Hernandez, C. Sanloup, E. Gregoryanz and S. Scandolo, Appl. Phys. Lett. 90 (2007) 011909.

[18] D. Aberg, B. Sadigh, J. Crowhurst, F. Goncharov, Phys. Rev. Lett. 100 (2008) 095501.

[19] E. J. Zhao, Z. J. Wu, J. Solid State Chem. 181 (2008) 2821.

[20] HR Soni, SK Gupta, PK Jha, Physica B: Condensed Matter 406 (19), 3556 (2011).

[21] SK Gupta, SD Gupta, HR Soni, V Mankad, PK Jha, Materials Chemistry and Physics 143 (2), 503(2014).

[22] SD Gupta, SK Gupta, PK Jha, Computational Materials Science 49 (4), 910(2010).

[23] G Pagare, SP Sanyal, PK Jha, Journal of alloys and compounds 398 (1), 16(2005).

[24] H. Rached , D. Rached , R. Khenata , S. Benalia , M. Rabah , F. Semari and H. Righi, Phase Trans. 84 (2011) 269.

DOI: 10.1080/01411594.2010.530483

[25] WeiHu Li, J. Alloys and Comp. 537 (2012) 216.

[26] R. K. Singh, Phys. Rep. 85 (1982) 259.

[27] Netram Kaurav, Phys. Scr. 88 (2013) 015604.

[28] D. W. Hafemeister and W. H. Flygare, J. Chem. Phys. 43 (1965) 795.

[29] N. Kaurav, Y. K. Kuo, G. Joshi, K. K. Choudhary and D. Varshney, High Pressure Res. 28 (2008) 651.

[30] J. C. Slater and J. G. Kirkwood, Phys. Rev. 37 (1931) 682.

[31] F. D. Murnaghan, Proc. Natl. Acad. Sci. U. S. A. 3 (1994) 244.