First principle study of structural, electronic, mechanical, dynamic and optical properties of half-Heusler compound LiScSi under pressure - Ciftci, Yasemin O.; Evecen, Meryem (Phase transitions, 2018)
Keywords: Ab-initio calculations; Bulk modulus; Charge density; Density; Density functional theory; Density of states; Dielectric properties; Dispersion curve analysis; Dynamic stability; Elastic analysis; Elastic properties; electronic structure; Equations of state; First principles; Half-Heusler; Lattice parameters; Mathematical analysis; Modulus of elasticity; Optical properties; Physical properties; Poisson's ratio; Refractivity; Shear modulus; Ternary