Electronic Structure and Reconstruction of Si(100) Surfaces View Full Text


Ontology type: schema:Chapter     


Chapter Info

DATE

1992

AUTHORS

M. Tsukada , N. Shima , Z. Zhu , H. Kageshima , J. Yamauchi

ABSTRACT

The first-principles LDA calculation is applied to the electronic states of Si(100) reconstructed surfaces. Among various higher order reconstruction structures of asymmetric dimers, c(4 × 2) structure is found to be the most stable structure. The firstprinciples molecular dynamics calculation provided a supporting evidence for the stability of asymmetric dimer structure. The energy band of the c(4 × 2) surface reveals the semiconducting surface band dispersion, which gives an excellent agreement with the ARUPS result for the single domain surface. The stabilization mechanism of the c(4 × 2) surface is ascribed to the hybridization interaction between the orbitale of the up dimer atoms in the adjacent row, and not to the ionic interaction as p(2 × 2) structure. The theoretical simulation of STM/STS on the Si(100) surfaces explained fairly well the experimental feature. The ‘seemingly symmetric’ dimer in the STM image does not necessarily correspond to the real symmetric dimer. More... »

PAGES

319-335

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/978-94-011-3190-2_21

DOI

http://dx.doi.org/10.1007/978-94-011-3190-2_21

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1017437632


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