Nitrogen 1s core-level shifts at the NH3 saturated Si(100)-2 x 1 surface: a first-principles study

Using a first-principles approach, we investigate the effect of interdimer interactions on N Is core-level shifts at the NH3 saturated Si(100)-2 X 1 surface. Fully relaxed model structures are generated in which -NH2 groups on adjacent dimers in a row are located either on opposite ends (OE) or on the same ends of the respective dimers. By comparing calculated core-level shifts with measured photoemission spectra, we show that the OE configuration dominates, supporting the occurrence of an ordered coverage pattern. (C) 2001 Elsevier Science B.V. All rights reserved.


Published in:
Surface Science, 490, 1-2, L614-L618
Year:
2001
ISSN:
0039-6028
Other identifiers:
Laboratories:




 Record created 2009-10-08, last modified 2018-03-17


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