Tight-binding study of the electronic structure of Pd and Pt epitaxial overlayers on hcp transition metal surfaces

✍ Scribed by Peter Mikušík; Štěpán Pick

• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 356 KB
• Volume: 215
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(93)85721-y

✦ Synopsis

The electronic structures of Pd and Pt epitaxiai monolayers on Re and Ru (000 1) surfaces are studied within a self-consistent semi-empirical scheme. To this purpose an s-d-electron tight-binding Hamiltonian is treated by the recursion method. The overlayer d bands are shifted to higher binding energies with respect to the corresponding elemental metal position. No charge transfer between atoms is supposed in our model. The experimental Pd core-level shifts are not far from the calculated chemical shifts although the agreement is not perfect.