Dt. Vu et Kar. Mitchell, TENSOR LEED ANALYSIS OF THE CU(110)-(2 X 3)-N SURFACE-STRUCTURE, Physical review. B, Condensed matter, 49(16), 1994, pp. 11515-11518
A tensor LEED analysis of the Cu(110)-(2 x 3)-N surface structure supp
orts. a reconstruction model in which the topmost layer can be describ
ed as a pseudo-(100)-c(2 x 2)-N overlayer, with metal corrugation of a
bout 0.52 angstrom in the reconstructed layer. Each N atom is nearly c
oplanar with the local plane formed by the four neighboring Cu atoms.
Of the four N atoms per unit mesh, three also bond to Cu atoms in the
layer below and are therefore five-coordinate. Two of the three five-c
oordinate sites result from appreciable lateral displacements toward e
ach other of both N atoms and Cu atoms below in the topmost Cu(110) la
yer. Average N-Cu bond lengths for the five-coordinate sites (1.87 ang
strom) agree well with prediction, while the bond lengths for the four
-coordinate sites (1.85 angstrom) appear somewhat long. These differen
t N sites are discussed in relation to a recent STM study, and results
from this LEED analysis are contrasted with those from the previous L
EED study, which supported a [001]-missing row reconstruction of the s
urface.