X-ray-scattering determination of the Cu(110)-(2[times]3)N structure

Journal Article · Wed Sep 15 04:00:00 EDT 1993 · Physical Review, B: Condensed Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.48.9013· OSTI ID:6223088

Baddorf, A P; Zehner, D M ^[1]; Helgesen, G; Gibbs, D ^[2]; Sandy, A R; Mochrie, S G.J. ^[3]

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1. Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6024 (United States)
2. Department of Physics, Brookhaven National Laboratory, Upton, New York 11973-5000 (United States)
3. Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139-4307 (United States)

The structure of Cu(110)-(2[times]3)N has been investigated with x-ray reflectivity measurements of nine independent surface rods. Observed reflectivities ranging over five orders of magnitude were compared with calculations based on structural models. A pseudo-(100) reconstruction consisting of four [1[bar 1]0] copper rows in the outermost layer for every three of the bulk is favored both by symmetry and by an [ital R]-factor analysis. An excellent fit, with an [ital R] factor of 0.0051, is obtained for this model by including a large expansion of the interlayer spacing (57% greater than bulk) and large corrugation amplitude (50% of the bulk interlayer spacing) in the outermost layer. These values can be understood by considering a hard-sphere model of the surface structure. The corrugation results in two raised and two lowered rows of copper atoms in the outermost layer and extends to several layers into the substrate (amplitudes from 9% to 22% of the bulk interlayer spacing). Vibrational amplitudes in the reconstructed layer are anisotropically enhanced by a factor of 2.8 normal to the surface and by 1.3 within the surface plane over bulk values. Nitrogen atoms are located 0.75 A above the copper layer, and form a nearly ([radical]2 [times] [radical]2 ) [ital R]45[degree] structure with respect to the reconstructed copper. This model is shown to be consistent with most previous experimental observations.

• DOE Contract Number: AC05-84OR21400; AC02-76CH00016
• OSTI ID: 6223088
• Journal Information: Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 48:12; ISSN PRBMDO; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360102* -- Metals & Alloys-- Structure & Phase Studies
360104 -- Metals & Alloys-- Physical Properties
ADSORPTION
COPPER
DATA
ELEMENTS
EPITAXY
EXPERIMENTAL DATA
INFORMATION
LATTICE VIBRATIONS
METALS
NITROGEN
NONMETALS
NUMERICAL DATA
OPTICAL PROPERTIES
PHYSICAL PROPERTIES
REFLECTIVITY
SORPTION
SORPTIVE PROPERTIES
SPECTROSCOPY
SURFACE PROPERTIES
TRANSITION ELEMENTS
X-RAY SPECTROSCOPY