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End electronic states in Cu chains on Cu(111): Ab initio calculations

2005; American Physical Society; Volume: 72; Issue: 15 Linguagem: Inglês

10.1103/physrevb.72.153407

1550-235X

V. S. Stepanyuk, A. L. Klavsyuk, L. Niebergall, P. Bruno,

Magnetic properties of thin films

The state-of-the-art ab initio calculations are performed to study the effect of surface-state electrons of Cu(111) on electronic states in Cu chains. We reveal the existence of localized electronic edge states at energies close to the surface-state band edge of Cu(111). These states are shown to be similar to the bound states at single adatoms on Cu(111) recently detected by the low-temperature scanning tunneling microscopy [Limot et al., Phys. Rev. Lett. 94, 036805 (2005) and Olsson et al., Phys. Rev. Lett. 93, 206803 (2004)].