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The electronic and magnetic properties of the mother material LaOFeAs of newsuperconductors have been carefully studied using first-principles electronicstructure calculations based on the generalized gradient approximation in thedensity functional theory. The present calculation predicts that the groundstate of LaOFeAs is antiferromagnetic with a stripe type magnetic momentalignment leading to orthorhombic symmetry of the crystal. In this particularmagnetic state, the density of states at the Fermi level is very small. On theother hand, LaOFeP has turned out to be paramagnetic and a good metal.Implications of the results regarding the experimental observations will alsobe presented.

A possible ground state and its electronic structure of a mother material (LaOFeAs) of new superconductors