Theory of electronic structure and magnetic behavior of fcc iron grown on Cu(001)

The self-consistent film linearized muffin-tin-orbital method has been used to calculate the magnetically ordered and paramagnetic electronic structure of fcc iron as grown on Cu(001). Some recent experimental and theoretical work on this system is critically examined. Our calculations indicate that the zero-temperature ground state of this system has an antiferromagnetic interior and ferromagnetic coupling at the surface with an enhanced surface magnetic moment of 2.8μB. .AE