First-principle study of mechanical, optical and thermophysical properties of NiTiSn

In present work we have studied half-Heusler compound NiTiSn in perspective of optical, mechanical and thermophysical properties at high temperature pressure using density functional theory. We calculated various dielectric viz absorption coefficients, optical conductivity, reflectivity electron energy loss. also found refractive index n(0) ≈ 5 indicating highly denser medium for low waves. The coefficient conductivity are agreement with the experimental ones device. investigation shows UV region photon energy. elastic investigated most stable structure order to ensure its applications. Our estimated values Poisson ratio (n = 0.2735) pughratio (B/G 1.87) confirm metallic nature NiTiSn. Various viz. Debye temperature, isothermal heat capacity, entropy volume been pressures which will upgrade thermoelectric study. ensures T3 law Dulong Petit limit temperatures pressures.