Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5426912 | Surface Science | 2006 | 5 Pages |
Adsorption of Na on the Ge(0Â 0Â 1) surface is known to be a cause of surface reconstruction. It is expected to find one Na atom per unit cell of the reconstructed surface, however, the precise atomic configuration of this system is still a matter of controversy. Consequently, the aim of our present theoretical study is to examine the atomic structure of stable p(3Â ÃÂ 2)/Na/Ge(0Â 0Â 1) surfaces with and without the possible change of the number of Ge atoms in the surface layer (so-called mass transport). Structural and electronic properties of the considered system are investigated using the local-orbital density functional method. Our considerations are completed by a simulation of STM images of the structures following from molecular dynamics calculations.