Figure 2

Structure and stability diagram for phenoxy switching.

(a) Flat and (b) lifted configurations of the phenoxy molecule adsorbed on Cu(110) along the [001] direction (tip height h = 13.9 Å; lateral tip position x = 1.4 Å with respect to the Cu bridge site). The tip height h is related with Δz as h = z₀ − Δz, where z₀ is the initial tip height. (c) Total energy differences and (d) molecular tilt angle α as a function of tip position. Vertical dashed lines indicate the tip height where flat and lifted configurations are energetically equal. (blue data: x = 3.4 Å, red: x = 2.4 Å, black: x = 1.4 Å; down-triangles: molecule flat, up-triangles: molecule lifted up).