Theoretical investigations of LaOFePn(Pn=P, As and Sb)

The electronic and magnetic properties of LaOFePn(Pn=P, As and Sb) have been investigated by employing first-principles density functional theory. The results show that LaOFeSb has similar properties with LaOFeAs and LaOFeP. In this kind of Fe-based layer superconductivity, the arrangement of Fe spins is determined by the superexchange and direct exchange collectively.