Interionic potentials for alkali halides. II. Completely crystal independent specification of Born-Mayer potentials

Atom manipulation on an insulating surface at room temperature

“…The first term gives the longrange electrostatic interaction, and the second one represents the short-range Buckingham type interaction 58 : parameters for all ionic pairs were obtained from previous studies [59][60][61] and are listed in Supplementary Table 4. It should be mentioned that the short-range interaction between two Br À ions is neglected since only one Br À ion is present in the simulation at any time.…”

Measuring Electric Field Induced Subpicometer Displacement of Step Edge Ions

“…This approach allows us to include the influence of applied bias on the forces and atomic geometries. Interatomic interactions in the surface are included via fitted Buckingham potentials [51][52][53][54]. As the tip is contacted to the surface, we expect the apex to be covered by LiF and model it as a simple dipole [45,55,56]-since we are interested in the interactions at LR, an atomistic model of the tip is unnecessary.…”

Atomic-scale dissipation processes in dynamic force spectroscopy

“…where q i are the ion charges, r ij is the distance between ionic pairs and A ij , B ij , and ρ ij are parameters defined for 31 The parameters for all ionic pairs were obtained from previous studies [32][33][34] and are listed in Tables I and II. The software is specifically designed to simulate a system consisting of a surface and an atomic force microscopy (AFM) tip, and to mimic the motion of the tip in a real AFM experiment. In this particular case the tip was forced to oscillate harmonically above the surface as in a DFM/DFS experiment: The oscillation amplitude was set to match the experimental value of 1 nm, but the frequency was increased to 100 MHz in order to reduce the simulation time and make it affordable.…”