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Elastic Properties of Rock-Salt Structured Transition Metal Carbides

Dheerendra Singh Yadav and D.V. Singh


In the present paper, author have performed the semi-empirical formula for static stiffness constants (C11, C12, C44) of rock-salt (RS) structured transition metal carbides (TiC, ZrC, HfC, TaC, VC, NbC) in terms of their valence electron plasmon energy. We have applied the proposed empirical model to investigate the static stiffness constants on the transition metal carbides (TMC’s). The estimated values of static stiffness constants are in excellent agreement with the values cited in the experimental and theoretical literature. Using these parameters, elastic properties such as bulk modulus (B), shear modulus (G), Young’s modulus (E) and Poisson ratio (s) for TMC’s have been investigated. The present calculation results are in excellent agreement with available experimental data and previous calculations based on phenomenological methods. A comparison of the calculated static and elastic properties with the available experimental and theoretical estimations leads us the applicability of the method applied. This work highlights the significance of the relationship between static stiffness constants (C11, C12& C44) and plasmon energy (h?p). 

Keywords: Transition Metal Compounds, Static and elastic properties. PACS No.: 71.20.Be, 62.20.Dc, 45.10.Ab, 71.15.Mb, 74.70.Ad.

Posted in Issue No. 2 (April-June 2017), Volume 1