The electronic structure and properties of two different types of random Ag overlayers on a nonrandom Pd(001) substrate have been studied. One overlayer is an Ag-Pd alloy and the other is Ag plus vacancies. Calculations were performed by means of a self-consistent, surface Greens-function technique based on the tight-binding linear-muffin-tin-orbital theory. The disorder was included via the coherent-potential approximation generalized to inhomogeneous systems. The layer-resolved local densities of states and the work functions were obtained.
All Science Journal Classification (ASJC) codes
- Condensed Matter Physics