29 research outputs found
Work functions, ionization potentials, and in-between: Scaling relations based on the image charge model
We revisit a model in which the ionization energy of a metal particle is
associated with the work done by the image charge force in moving the electron
from infinity to a small cut-off distance just outside the surface. We show
that this model can be compactly, and productively, employed to study the size
dependence of electron removal energies over the range encompassing bulk
surfaces, finite clusters, and individual atoms. It accounts in a
straightforward manner for the empirically known correlation between the atomic
ionization potential (IP) and the metal work function (WF), IP/WF2. We
formulate simple expressions for the model parameters, requiring only a single
property (the atomic polarizability or the nearest neighbor distance) as input.
Without any additional adjustable parameters, the model yields both the IP and
the WF within 10% for all metallic elements, as well as matches the size
evolution of the ionization potentials of finite metal clusters for a large
fraction of the experimental data. The parametrization takes advantage of a
remarkably constant numerical correlation between the nearest-neighbor distance
in a crystal, the cube root of the atomic polarizability, and the image force
cutoff length. The paper also includes an analytical derivation of the relation
of the outer radius of a cluster of close-packed spheres to its geometric
structure.Comment: Original submission: 8 pages with 7 figures incorporated in the text.
Revised submission (added one more paragraph about alloy work functions): 18
double spaced pages + 8 separate figures. Accepted for publication in PR