Ab-initio study of the electronic properties of MoSi[sub 2]

The full potential linearized augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) has been used to investigate the electronic properties of MoSi2 (space group-I4/mmm). The band structure and density of states are computed. The band structure and density of states around the Fermi level suggest that this compound has a semimetal like characteristic.