Position of segregated Al atoms and the work function: Experimental low energy electron diffraction intensity analysis and first-principles calculation of the (√3×√3)R30° superlattice phase on the (111) surface of a Cu–9at.%Al alloy

摘要: The position of segregated Al atoms in the ordered (√3×√3)R30° superlattice phase on (111) surface a Cu–9at.%Al alloy was precisely determined by tensor low energy electron diffraction (LEED) analysis. Work function values phase, without segregation, and Cu were measured compared. Both work computed using first-principles calculations. conclusion from LEED analysis that atoms, occupying substitutional positions bulklike lattice sites within top layer, located outward 6% with respect to plane layer agreed well results segregation very close obtained both experiments effect segregants value also ...