Electron dangling bonds above the top-layer
on the Si(001)-surface
Oblique view of electron density in the two top surface layers.
The atom and electron dynamics can be visualized
by a short video (1.2 Mbytes) by clicking with the mouse into the
following picture-frame
For a more extended movie (7.7 Mbytes) please click here
For more information see:
Coupled Motion of Electrons and Atoms on the Si(001) Surface
E.P. Stoll,
A.
Baratoff,
A. Mangili, and
D. Maric
CSCS/SCSC -
Annual Report 1994, pg. 23,
Coupled Atom and Electron Motions on the Si(001) Surface from
First-Principles Molecular Dynamics and their Visualization by a
Video
E.P. Stoll,
A.
Baratoff,
A. Mangili, and
D. Maric,
CrosSCutS,4, #3, 18 (1995)
and
Coupled atom and electron motions on the Si(001) surface from
first-Principles molecular dynamics and their visualization by a
video
E.P. Stoll,
A.
Baratoff,
A. Mangili, and
D. Maric
Materials
Science & Engeneering, B37 (1996) 155-157
The calculations were performed with the
Car-Parrinello computer program and the advise of
Wanda Andreoni at the
IBM Research Lab Rueschlikon.
For more information about videos and
pictures as results of density functional calculations in
chemistry click here.
