Prediction of the effect of the sample biasing in scanning tunneling microscopy and of surface defects on the observed character of the dimers in the Si(001)-(2 times 1) surface

Journal Article · Tue Jan 15 00:00:00 EST 1991 · Physical Review, B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.43.2058· OSTI ID:6106757

Badziag, P ^[1]; Verwoerd, W S ^[2]; Van Hove, M A ^[3]

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1. Department of Physics, University of South Africa, P. O. Box 392, Pretoria 0001, Republic of South (Africa) Materials Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California (USA)
2. Department of Physics, University of South Africa, P. O. Box 392, Pretoria (Republic of South Africa)
3. Materials Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California (USA)

Self-consistent quantum-chemical cluster calculations are reported which address the controversy about the presence or absence of dimer buckling in the Si(001)-(2{times}1) reconstructed surface. The results indicate that biasing the surface, as in the scanning tunneling microscopy (STM) experiment, is likely to produce a relatively symmetric STM image even if dimers in the unbiased surface are buckled, as deduced from scattering experiments. We have also investigated a dimer close to a surface defect, such as a step, and propose a mechanism that makes the dimer there appear buckled to STM.

• DOE Contract Number: AC03-76SF00098
• OSTI ID: 6106757
• Journal Information: Physical Review, B: Condensed Matter; (USA), Vol. 43:3; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
SILICON
SURFACE PROPERTIES
DIMERS
SCANNING ELECTRON MICROSCOPY
SELF-CONSISTENT FIELD
SOLID CLUSTERS
STRUCTURAL MODELS
TUNNEL EFFECT
ELECTRON MICROSCOPY
ELEMENTS
MICROSCOPY
SEMIMETALS
360602* - Other Materials- Structure & Phase Studies