Figure 1
Non-harmonic joint probability density function maps showing the silver localization as a function of temperature: (a) 300, (b) 120 and (c) 15 K. Maps, in Å, are centred at (0, 0, 0.12) and summed over Δz = 2 Å. Contour lines are for 0.02 and 0.04 Å−3, and then from 0.06 Å−3 to a maximum of 0.32, 0.42 and 0.65 Å−3 for 300, 120 and 15 K, respectively, in intervals of 0.06 Å−3. Refined positions are indicated by × and calculated mode positions by +. Negative values are not indicated with contour levels, since they are lower, in absolute value, than 4 and 6.5% of the maximum at 300 and 120 K, respectively. |