Journal of Chemical and Pharmaceutical Research (ISSN : 0975-7384)

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Original Articles: 2015 Vol: 7 Issue: 1

Effect of ternary addition on bonding properties of Rh3V intermetallics: A theoretical study


Structural, Elastic and Electronic properties of Rh3V and Rh3Vx(Ni)1-x are studied by Full Potential Linearized Augmented Plane Wave(FP-LAPW) method. The basic physical parameter such as lattice constants, elastic constants, bulk modulus, shear modulus, Young’s modulus and Poisson’s ratio are reported. Furthermore, the chemical bonding properties of Rh3V and Rh3Vx(Ni)1-x discussed using Cauchy’s Pressure, Poisson’s Ratio, Pugh Rule and charge density plot. A strong directional bonding is seen between V-Rh-V atoms in Rh3V compound whereas no such directional bonding is seen in Rh3Vx(Ni)1-x compound.