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PHILIP R. WATSON, PROFESSORB.A. Oxford University, 1974 Department of Chemistry, Oregon State University,
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NIST Surface Structure Database (SSD)
The Surface Structure Database (SSD) is a collaborative project with Dr. Michel Van Hove, Lawrence Berkeley National Laboratory and Prof. Dr. Klaus Hermann, Fritz-Haber Institute, Berlin under the auspices of the National Institute of Standards and Technology (NIST). SSD is the only complete critical compilation of reliable crystallographic information now available on surfaces and interfaces.
How to contribute a structure to SSD
SSD brings instant access to detailed text and graphical displays of over 1100 experimentallydetermined atomic-scale structural analyses. Using the powerful, yet easy-to-use capabilities of SSD, scientists in physics, chemistry, and materials science can quickly and easily find the answer to such questions as :
what adatom structures on compound semiconductors have been solved?
what are the coordinates of the atoms at the CoSi2/Si interface?
how many studies on Ag surfaces have appeared since 1980?
do C-C bond lengths vary in adsorbed hydrocarbons?
how do different surfaces of Si reconstruct?
has the Al/GaAs (110) system been studied with LEED?
Searching for needed information has been made as painless as possible and context-sensitive on-line help is available at all times. Searches involve simply filling in the blanks with each criterion of interest and clicking the mouse - no arcane and repetitive search procedures!
If you are not sure of the spelling or would like some suggestions, simply double-click the mouse to see a list of possibilities for that criterion. You can search for specific items (e.g. Si substrate, (111) crystal face, Al adsorbate), or for classes of materials or structures (e.g. metallic substrates, molecular adsorbates, reconstructions).
The database provides a wealth of information for each structure using 5 data screens:
Summary - full reference and brief summary of the suface structure
Experiment/Theory - details of sample preparation, experimental technique, dataset and theoretical analysis
Surface 2D Unit Cells - complete description of the bulk and surface unit cell(s)
3D Coordinates - scrollable list of coordinates, with error bars, for surface or interface atoms
Bond Distances and Angles - scrollable list of important bond lengths and angles
Any or all of this information can be printed out in a convenient form suitable for reports.
However, SSD is more than a critical compilation of data. This database contains integrated 3D color graphics that allow you to visually inspect all surface structures.
You have complete control over the appearance of the 3D display :
rotation, magnification and choice of perspective
display of atoms as circles, disks, shaded spheres, etc.
color or gray-scale publicaton-quality PostScript output
full-color or red/blue stereo modes
choice of colors for atoms, bonds and background
The visualization capabilities of SSD extend beyond display to interactive analysis of structural relationships :
storage and comparison of related structures
interatomic distances and bond angles
number and distance of neighbors and much more.
Version 3.0 of SSD is scheduled to appear in summer 1999. It will offer the following main changes from version 2.0 :
Intel 80486 or Pentium processor
16 MB or more of memory
VGA graphics with at least 256 colors and color monitor with 800x600 pixels or higher
resolution
10 MB of free hard disk space (15 MB for installation)
Microsoft Windows-compatible mouse; printer (optional; required for print output of
listings, PostScript type for printing graphics).
The SSD software and data are marketed by the NIST Standard Reference Data Program as Database 42. Further information, including ordering instructions, can be obtained at the NIST SSD web site
How to contribute a structure to SSD
Information on how to contribute a structure to SSD is available at http://electron.lbl.gov.
ELECTRONIC DATABASE: Surface Structure Database (SSD), P.R. Watson, M.A. Van
Hove and K. Hermann, NIST Surface Structure Database Ver. 1.0, NIST Standard Reference
Data Program, Gaithersburg, MD, USA (1993).
BOOK: Atlas of Surface Structures, Based on the NIST Surface Structure Database (SSD),
P.R. Watson, M.A. Van Hove and K. Hermann, J. Phys. Chem. Ref. Data, Monograph No. 5, in 2
Vols. (1A and 1B) (1994).
ELECTRONIC DATABASE: Surface Structure Database (SSD) Version 2, P.R. Watson, M.A.
Van Hove and K. Hermann, NIST Surface Structure Database Ver. 2.0, NIST Standard Reference
Data Program, Gaithersburg, MD, USA (1996).
PAPER The Surface Structure Database: SSD, M.A. Van Hove, K. Hermann
and P.R. Watson, in The Structure of Surfaces V, Proc. ICSOS-V, Eds. P.
Soukiassian, G. Le Lay and M.A. Van Hove, Surf. Rev. Lett. 4, 1071-75 (1997).
http://www.chem.orst.edu/PersonalHomePages/Research/SSD.htm
Last Updated by Philip R. Watson on Monday, September 09, 2002