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LEED ANALYSES REVISITED FOR 2 STRUCTURES FORMED BY ZR(0001) - THE SURFACE WHEN CLEAN AND WHEN CONTAINING SUFFICIENT OXYGEN TO JUST EXTINGUISH THE HALF-ORDER BEAMS

TitleLEED ANALYSES REVISITED FOR 2 STRUCTURES FORMED BY ZR(0001) - THE SURFACE WHEN CLEAN AND WHEN CONTAINING SUFFICIENT OXYGEN TO JUST EXTINGUISH THE HALF-ORDER BEAMS
Publication TypeJournal Article
Year of Publication1995
AuthorsWang, YM, Li, YS, Mitchell, KAR
JournalSurface Science
Volume343
PaginationL1167-L1173
Date PublishedDec
Type of ArticleLetter
ISBN Number0039-6028
KeywordsCRYSTALLOGRAPHIC INVESTIGATIONS, ENERGY-ELECTRON-DIFFRACTION, LOW ENERGY ELECTRON DIFFRACTION (LEED), LOW INDEX SINGLE CRYSTAL, OXYGEN, SANDWICH, SURFACE RELAXATION AND RECONSTRUCTION, SURFACES, ZIRCONIUM
Abstract

LEED crystallographic analyses have been made for two structures formed by the (0001) surface of zirconium and which show (1 x 1)-type diffraction patterns. An analysis with eight diffracted beams for clean Zr(0001) supports an earlier conclusion that this surface has a regular hcp-type structure, and that the first interlayer spacing shows a contraction hem the bulk spacing by about 1.6%. A surface formed by O, at twice the coverage applying for the best-developed half-monolayer (2x2) diffraction pattern, is analyzed using tensor LEED for nine diffracted beams, including the use of the average t-matrix approximation. It is concluded that the 1 monolayer (ML) structure is actually disordered with 0.5 ML of O distributed statistically over octahedral holes between the first and second Zr layers, and another 0.5 ML of O similarily distributed between the second and third metal layers.

URL<Go to ISI>://A1995TK12800004