Structure of Self-Assembled Mn Atom Chains on Si(001)

Combining scanning tunneling microscopy, atomic force microscopy, and density functional theory we find that a simple necklacelike chain of single Mn atoms reproduces all the prominent features of Mn atom chains on Si(001), including their asymmetric appearance in filled states images not captured by current models. The upshot is a remarkably simpler structure than current prevailing ones for modeling their electronic and magnetic properties.