We have studied the submonolayer growth of vanadium on the Pd(111) surface
at different substrate temperatures. By means of low-energy ion spectroscop
y (LEIS), Auger electron spectroscopy (AES), scanning tunnelling microscopy
(STM), X-ray photoelectron diffraction (XPD) and ab initio local density f
unctional calculation we find that, at room temperature, deposited vanadium
atoms substitute surface palladium atoms. In addition, islands are formed
on the surface that consist mostly of the substituted palladium atoms. At h
igher temperatures vanadium diffuses into subsurface layers and, at a tempe
rature of 300 degrees C, only a small amount of vanadium is observed in the
topmost layer. STM revealed the formation of a (root 3 x root 3)R30 degree
s superstructure and XPD measurements demonstrated that this structure is d
ue to vanadium atoms incorporated in the second layer. This finding is conf
irmed by ab initio calculations. A model for the (root 3 x root 3)R30 degre
es structure based on the experiments and the ab initio calculations is giv
en. (C) 2000 Elsevier Science B.V. All rights reserved.