band Structure calculations on orthorhombic bulk and nanocrystalline SrY2O4

The electronic structure of SrY2O4 is calculated by using a density functional method, and the exchange and correlation have been treated by using a the generalized gradient approximation (GGA) within the scheme due to Perdew, Burke, and Ernzerhof (PBE). SrY2O4 is predicted to be a direct-gap material because the top of the valence band and the bottom of the conduction band are along the same direction at G. The bond length and the bond covalency are also calculated by using a chemical bond method.