First Principles Study on Structural, Electronic, Elastic and Thermal Properties of OsAl and OsSi

First - principles study on structural, electronic, elastic and thermal properties of B2 phase OsAl and OsSi have been reported using ab-initio full potential linearized plane wave method (FP-LAPW) method within generalized gradient approximation (GGA). We have calculated ground state and electronic properties such as lattice constant (a0), bulk modulus (B0), its pressure derivative (B0') and density of states at Fermi level N(EF). Lattice constants are in good agreement with other results. The elastic constants (C11, C12 and C44) are also calculated for these compounds. Ductility has been analyzed by Pugh’s rule (B/GH) ratio and Cauchy’s pressure (C12-C44). To the best of our knowledge, these properties are calculated first time.