Xikun Hu, Wenlin Liu, et al.
IEEE J-STARS
We present an ab initio molecular-dynamics (Car-Parrinello) study of Na adsorption on Si(111). For one-monolayer coverage the bulk-terminated surface does not reconstruct, in agreement with recent low-energy-electron-diffraction data. The equilibrium Na geometry largely confirms Northrups predictions with an albeit partially ionic bonding. Energy bands are in excellent agreement with angle-resolved photoemission. Temperature effects and metastable configurations on the 1×1 and 2×1 phases are discussed. For half-monolayer coverage, the 1×1 structure is predicted to be unstable. © 1992 The American Physical Society.
Xikun Hu, Wenlin Liu, et al.
IEEE J-STARS
M.A. Lutz, R.M. Feenstra, et al.
Surface Science
R. Ghez, M.B. Small
JES
M. Hargrove, S.W. Crowder, et al.
IEDM 1998