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LEED CRYSTALLOGRAPHIC STUDIES FOR THE CU(110)-(2 X 3)-N SURFACE-STRUCTURE

TitleLEED CRYSTALLOGRAPHIC STUDIES FOR THE CU(110)-(2 X 3)-N SURFACE-STRUCTURE
Publication TypeJournal Article
Year of Publication1992
AuthorsGrimsby, DTV, Zhou, MY, Mitchell, KAR
JournalSurface Science
Volume271
Pagination519-529
Date PublishedJun
Type of ArticleArticle
ISBN Number0039-6028
KeywordsADSORPTION, AES, chemisorption, CU(110)(2X3)-N STRUCTURE, ENERGY ELECTRON-DIFFRACTION, NI(110), NITRIDE, NITROGEN, RECONSTRUCTION, SITE
Abstract

An initial multiple-scattering analysis of LEED intensities has been performed for the Cu(110)-(2 x 3)-N surface structure. R-factor analysis supports neither simple N overlayer models nor models with Cu(100)-type top-layer reconstructions. The best correspondence between calculated and experimental intensities appears with models where every other [001] row is missing, similar to that observed for the Cu(110)-(2 x 1)-O surface. The favoured surface structure has N atoms chemisorbed on long-bridge sites such that chains of (Cu(a)-N-Cu(b)-N-Cu(a))x create a surface analogous to the ideal Cu3N(110) surface, except that every third N atom is missing from the surface chains. There is evidence that lateral displacement of copper atoms from the ideal positions leads to two different N-Cu surface bond lengths with values near 1.83 and 1.90 angstrom. Each N atom also bonds to two Cu atoms in the second layer with equal bond lengths of about 1.88 angstrom.

URL<Go to ISI>://A1992JA63900025