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The elastic, thermodynamic, electronic, and optical properties of recentlydiscovered and potentially technologically important transition metal borideNbRuB, have been investigated using the density functional formalism. Bothgeneralized gradient approximation (GGA) and local density approximation (LDA)were used for geometrical optimization and for estimation of various elasticmoduli and constants. The optical properties of NbRuB have been studied for thefirst time with different photon polarizations. The frequency (energy)dependences of various optical constants compliment quite well to the essentialfeatures of the electronic band structure calculations. Debye temperature ofNbRuB has been estimated form the thermodynamical study. All these theoreticalestimates have been compared with published results, where available, anddiscussed in detail. Both electronic band structure and optical conductivityreveal robust metallic characteristics. NbRuB possesses significant elastic andelectronic anisotropy. The effects of electronic band structure and Debyetemperature on the emergence of superconductivity have also been analyzed.

Elastic, thermodynamic, electronic and optical properties of recently  discovered transition metal boride NbRuB superconductors: an ab-initio  investigation