Abstract
A $c(3\sqrt{2}\ifmmode\times\else\texttimes\fi{}\sqrt{2})$ reconstructed structure of the Fe(001) surface with self-assembled C zigzag chains has been recently observed experimentally. Using ab initio density-functional calculations, we address the effect of the C zigzag chains on the electronic structure of this surface. We find that the formation of the C chains produces one-dimensional surface states localized along the zigzag chains. These states are spin polarized and derive from pre-existing two-dimensional Fe ${d}_{3{z}^{2}\ensuremath{-}{r}^{2}}$-like surface states of the clean Fe(001) surface. The simulation of scanning tunnel microscopy (STM) images allows us to assign the chainlike structure, observed in STM experiments, to the one-dimensional Fe surface states laterally confined within the C zigzag stripes.
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