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Surface reconstructions in Pb/Si(100) system: Composition and atomic arrangement

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Abstract Using scanning tunneling microscopy and density functional theory calculations, atomic arrangement of surface reconstructions in Pb/Si(100) system was examined. Through accurate evaluation of Pb coverage, it was determined that… Click to show full abstract

Abstract Using scanning tunneling microscopy and density functional theory calculations, atomic arrangement of surface reconstructions in Pb/Si(100) system was examined. Through accurate evaluation of Pb coverage, it was determined that 2 × 2 reconstruction contains 0.5 monolayer (ML) of Pb, c(8 × 4) - 0.75 ML of Pb, 2 × 1 - 1.5 ML of Pb, and c(4 × 4) - 1.875 (15/8) ML of Pb. It was revealed that the 2 × 2-Pb reconstruction can occur in two possible modifications, with buckled Pb dimers in the trenches between Si-dimer rows and with symmetric Pb dimers atop Si-dimer rows. The 2 × 2-Pb reconstruction of the latter type develops mainly on the Si(100)2 × 1 surface which contains relatively large density of structural defects. Known structural models of the c(8 × 4) and 2 × 1 reconstructions were tested and received the confirmation. A new model was proposed for the c(4 × 4) structure. The obtained data set is believed to constitute a solid base for the prospective studies of the phenomena occurring in the Pb/Si(100) system. In particular, the Pb-dense reconstructions, 2 × 1 and c(4 × 4), might be plausible candidates for detecting superconducting properties by analogy with the Pb-dense reconstructions on Si(111).

Keywords: atomic arrangement; surface; surface reconstructions; reconstructions 100; 100 system

Journal Title: Surface Science
Year Published: 2020

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