The influence of antisite defects on the half-metallic properties in disordered LaSrVMoO6

Electronic and magnetic properties of disordered LaSrVMoO6 are investigated by the use of density functional theory. Our results indicate that the antisite defects reduce the magnetization. The Coulomb interaction (U) plays a vital role in producing the half-metallic properties, and the magnetic ground state is also sensitive to the choice of U. A compensated half-metal is obtained in completely disordered cubic LaSrVMoO6, which is the first evidence for the compensated half-metal in LaSrVMoO6. The orthorhombic disordered LaSrVMoO6 is metallic. Obviously, further study is still necessary for LaSrVMoO6.