Experimental and Theoretical Study of the Rotation of Si Ad-dimers on the Si(100) Surface

Journal Article · Sun Sep 01 00:00:00 EDT 1996 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.77.2518· OSTI ID:389031

Swartzentruber, B S; Smith, A P; Jonsson, H ^[1]

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1. Sandia National Laboratories, Albuquerque, New Mexico 87185-1413 (United States)

Scanning tunneling microscopy measurements and first principles density functional theory calculations are used to study the rate of the rotational transition of Si ad-dimers on top of the surface dimer rows of Si(100). The rotation rate and the relative population of the two stable orientations of the ad-dimers are measured as a function of the applied electric field to extract the zero-field behavior. The measured relative stability of the two configurations is used to test the accuracy of various functionals for density functional theory calculations. {copyright} {ital 1996 The American Physical Society.}

• Research Organization: Sandia National Laboratory
• DOE Contract Number: AC04-94AL85000; FG06-91ER14224
• OSTI ID: 389031
• Journal Information: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 12 Vol. 77; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ADSORPTION
ALKYLATING AGENTS
ARRHENIUS EQUATION
DENSITY FUNCTIONAL METHOD
DIMERS
ELECTRIC FIELDS
ELECTRON MICROSCOPY
ROTATIONAL STATES
SILICON
SURFACE PROPERTIES
SURFACES
TEMPERATURE DEPENDENCE