Search

The density function theory (DFT) under the generalised gradient approximation has been used to investigate the electronic structure of the double perovskite half metallic Sr2CoWO6 synthesied by the solid state reaction technique. The band gap of the system was measured from the Uv-Vis spectra and compared with the theoretically calculated values. Our results states that Sr2CoWO6 material behaves as insulators for the spin-up orientation and spindown orientation as found for the half metallic systems. [ABSTRACT FROM AUTHOR]

First principle study of the electronic band structure of Ba2DySbO6 synthesied by the solid state reaction technique have been performed within the framework of density function theory using WIEN2K. It has been shown in the absence of electron-electron interaction (U=0), BaDySO6 behaves like a half-metal. Even in the presence of DFT+U, electron-electron interaction via the Hubbard term (from U = 0, 2.72e -7.02eV), it still shows half metals. [ABSTRACT FROM AUTHOR]

First principle study of the electronic band structure of Ba2DySbO6 synthesied by the solid state reaction technique have been performed within the framework of density function theory using WIEN2K. It has been shown in the absence of electron-electron interaction (U=0), BaDySO6 behaves like a half-metal. Even in the presence of DFT+U, electron-electron interaction via the Hubbard term (from U = 0, 2.72e -7.02eV), it still shows half metals. [ABSTRACT FROM AUTHOR]