Initial surface silicidation on Ni(110)

Initial silicide formation on a Ni(110) surface was studied by scanning tunneling microscopy (STM) in an ultrahigh vacuum. Less than 0.5ML of Si deposition initiated a Si-Ni mixed layer by displacing substrate Ni, and dark sites were formed in the STM images. A 0.5ML-Si deposited surface showed that Si and Ni were alternately aligned in a close-packed [11¯0] row whereas Si pairs aligned along the [001] direction forming p(1×2), obliquely aligned forming c(2×2), or even straightly-and-obliquely aligned forming c(4×2) superstructures. A first-principles total energy calculation showed that the p(1×2) and c(4×2) structures had almost the same energy while the c(2×2) structure gave 13meV/1×1 higher energy. Because a Si-Si bond in the close-packed [11¯0] row is energetically unfavorable, Si deposition of more than 0.5ML did not further replace the substrate Ni, but silicide islands were nucleated along with a trench structure.