Phys. Rev. B 66, 205403 (2002) [9 pages]Ab initio calculations and scanning tunneling microscopy experiments of the Si(111)-(√7×√3)-Pb surfaceReceived 4 July 2002; published 7 November 2002 We present first-principles electronic structure calculations combined with scanning tunneling microscopy experiments of the Si(111)-(√7×√3)-Pb low-temperature structure. The ab initio calculations have been performed with two different atomic configurations. The structure proposed from x-ray data [C. Kumpf, Surf. Sci. 448, L213 (2000)] with 1.2 monolayer (ML) coverage is identified as the lowest energy one. The results from first-principles calculation are shown to agree well with experiment. The nature of bonding is discussed on the basis of the electronic density plots. The bonding is shown to be metallic within the lead overlayer. © 2002 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.66.205403
DOI:
10.1103/PhysRevB.66.205403
PACS:
68.35.-p, 68.43.Bc, 73.90.+f
|
|
About | Terms and Conditions | Subscriptions | Search | Help
Use of the American Physical Society websites and journals implies that the user has read and agrees to our Terms and Conditions and any applicable Subscription Agreement. Physical Review®, Physical Review Letters®, Reviews of Modern Physics®, and Physical Review Special Topics® are trademarks of the American Physical Society.