Calculation of the magnetic states of cobalt overlayers on copper (111)

摘要: One- and two-atom layers of cobalt on a copper (111) surface were found to be magnetic with spin polarization close the bulk value. The calculation was performed in tight-binding scheme, single-site, full orbital interactions treated self-consistently. Antiferromagnetic ferrimagnetic states periodicity examined. A new type ''spatially modulated'' state found. density spatial distribution magnetization obtained for each configuration. ferromagnetic have lowest total energy; energy spatially modulated was, however, calculated only 0.03 Ry per atom higher. Agreement photoemission experiments is satisfactory: It excellent one-atom layer Co Cu (111), but theoretically predicted shift peak location thickness not experimentally. Calculations both pure show that spectral features observed at corner Brillouin zone arise from totally symmetric electronic states.