Work-function anisotropy in noble metals: Contributions fromdstates and effects of the surface atomic structure
- 15 March 2000
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 61 (12), 8489-8495
- https://doi.org/10.1103/physrevb.61.8489
Abstract
The work functions of high-density Cu and Au surfaces are studied by ab initio calculations. We determine the work-function dependence on the crystallographic orientation of the surface and extract the separate contributions from the s and d states. The face-dependent contributions to the surface dipoles from the d states are shown to follow a trend different from that of the s states, which is predicted by Smoluchowski’s smoothing argument. The influences on the work function of surface relaxations in Cu and of surface reconstruction for Au(110) are also considered. These effects are explained in terms of surface effective charges at relaxed surfaces and by a microscopic model of the charge rearrangement at the reconstructed surface.Keywords
This publication has 40 references indexed in Scilit:
- Electronic factors determining the reactivity of metal surfacesSurface Science, 1995
- Chemisorption of CO on Cu(100), Ag(110) and Au(110)Surface Science, 1994
- Surface energy and work function of elemental metalsPhysical Review B, 1992
- Trends of the surface relaxations, surface energies, and work functions of the 4dtransition metalsPhysical Review B, 1992
- Comparison of crystalographic anisotropy effects on potential of zero charge and electronic work function for gold {111}, {311}, {110} and {210} orientationsElectrochimica Acta, 1990
- Photoemission study of the bulk and surface electronic structure of single crystals of goldPhysical Review B, 1978
- Dipole moments associated with edge atoms; A comparative study on stepped Pt, Au and W surfacesSurface Science, 1977
- The work function of the elements and its periodicityJournal of Applied Physics, 1977
- Work function and secondary emission studies of various Cu crystal facesJournal of Applied Physics, 1977
- Anisotropy of the Electronic Work Function of MetalsPhysical Review B, 1941