High Pressure Structural and Mechanical Properties of YBi and ScBi Compounds

Abstract:

A theoretical study of first order pressure induced structural phase transition, mechanical and thermal properties of YBi and ScBi compounds have been investigated using the modified inter-ionic potential theory (MIPT), which parametrically includes the effect of coulomb screening. The calculated results of phase transition pressure of ScBi and YBi are agree well with the available theoretical data. We have also reported the second order elastic constants and Debye temperature of these compounds. Our calculated values of second order elastic constant C₁₁, C₁₂ and C₄₄ are 128.4, 29.5, 30.2 GPa and 123.1, 29.7, 30.3 GPa for ScBi and YBi compounds respectively. These results are in good agreement with available theoretical data. We have also estimated Debye temperatures (θ_D) are 80K, 86K, for ScBi and YBi compounds respectively.

• Periodical: Advanced Materials Research (Volume 1141)
• Pages: 39-43
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.1141.39
• Online since: August 2016
• Authors: Ashok K. Ahirwar*, Mahendra Aynyas, Yeshvir Singh Panwar, Sankar P. Sanyal
• Keywords: Debye Temperature, Mechanical Properties of Solids, Phase Transition

References

[1] C. Stampfl, W. Mannstadt, R. Asahi, A. J. Freeman Phys. Rev.B. 63, (1996) 155106.

[2] Archana Singh, V. Srivastava, M. Aynyas, and S. P. Sanyal, Physica B, 404, (2009) 1852-1857.

[3] PK Jha and SP Sanyal, Pressure–volume relation and pressure induced structural phase transformation in ytterbium pnictides, physica status solidi (b) 205 (1998) 465-471.

DOI: 10.1002/(sici)1521-3951(199802)205:2<465::aid-pssb465>3.0.co;2-i

[4] PK Jha and SP Sanyal, Lattice vibrations in Yb-pnictide compounds, Physical Review B 52 (1995), 15898.

DOI: 10.1103/physrevb.52.15898

[5] Ashok K. Ahirwar, Mahindra Aynyas, B.S. Arya, S.P. Sanyal, J. Nucl. Mat. 413 (2011) 30-35.

[6] H. Kitazawa, T. Suzuki, M. Sera, I. Oguro, A. Yanase, A. Hasegawa, T. Kasuya, J. Mag. Magn. 421, (1983) 31-34.

[7] A. Bouhemadou Comput. Mat. Sci. 43, (2008) 1112-1116.

[8] M. Shoaib, G. Murtaza, R. Khenata, M. Farooq, R. Ali Comput. Mat. Sc. 79 (2013) 239-246.

[9] S. Azzi, A. Zaoui, M. Ferhat, Phys. Scr. 88, (2013) 055601.

[10] A. Singh, M. Aynyas, S.P. Sanyal, Ad. Mat. Res. 1047 (2014) 155-161.

[11] J. Pataiya M. Aynyas, C. Makode, A. Singh, S.P. Sanyal, Ad. Mat. Res. 1047 (2014) 35-40.

[12] Ashok k. Ahirwar, M. Aynyas, S.P. Sanyal, Journal of Physics; 377(2012) 012065.

[13] M. Aynyas, S.P. Sanyal, P.K. Jha, Phys. Stat. Sol. (b) 229 (2002) 1459-1466.

[14] A. Singh, M. Aynyas, S.P. Sanyal, Phase Transition 82 (2009) 576-586.

[15] B.S. Arya, M. Aynyas, S.P. Sanyal, Indian Journal of Phys. 83 (2009) 153-161.

[16] PK Jha and P Sanyal, Lattice vibrations in intermediate valence compounds SmS and TmSe Indian Journal of Pure and Applied Physics 31 (1993), 469-473.

[17] PK Jha, SP Sanyal, Lattice vibrational properties of uranium chalcogenides, Physica B: Condensed Matter 216 (1995), 125-131.

DOI: 10.1016/0921-4526(95)00438-6

[18] PK Jha, SP Sanyal, Lattice dynamics of uranium chalcogenides and pnictides, Physical Review B 46 (1992), 3664-3668.

DOI: 10.1103/physrevb.46.3664

[19] PK Jha, SP Sanyal, Phonon spectrum and lattice specific heat of the HgBa 2CuO4 high- temperature superconductor, Physica C: Superconductivity 271 (1996), 6-10.

DOI: 10.1016/s0921-4534(96)00536-9

[20] PK Jha and SP Sanyal, A lattice dynamical study of the role of pressure on Raman modes in high-T c HgBa 2 CuO 4, Physica C: Superconductivity 261 (1996), 259-262.

DOI: 10.1016/0921-4534(96)00148-7

[21] Z. M. Sun, S. Li, R. Ahuja, J. M. Schneider, Solid State Comm. 129 (2004) 589-592.

[22] P. Wachter, M. Filzmoser, J. Rebizant, Physica B 293 (2001) 199-223.

[23] C. Jansiukiewiz, V. Karpus, Solid State Commun. 128 (2003) 167-169.