20120401

WiSe 15/16: Theoretical Methods of Surface Structure

Klaus Hermann

Hinweise für Studierende

Prof. Dr. Klaus Hermann, Inorganic Chemistry Department, Fritz-Haber-Institut der MPG, Berlin

SURFACE EXPLORER, surface visualization (WWW)
http://surfexp.fhi-berlin.mpg.de
LEEDpat2, LEED symmetry pattern simulator (WIN95/98/NT/2k/XP/Vista/7)
http://www.fhi-berlin.mpg.de/KHsoftware/LEEDpat/index.html
oSSD, Open Surface Structure Database V. 4/5 (WIN95/98/NT/2k/XP/Vista/7)
Open Access version of NIST SSD (version 5, distributed until 2011)
http://www.fhi-berlin.mpg.de/KHsoftware/ossd/index.html (database)
http://www.fhi-berlin.mpg.de/KHsoftware/ssdin5/index.html (structure input, visualizer, V. 5)
BALSAC, surface visualization, and analysis (DOS, WIN95/98/NT/2000/XP/Vista/7, Linux)
http://www.fhi-berlin.mpg.de/KHsoftware/Balsac/balpam.html   (pamphlet)
http://www.fhi-berlin.mpg.de/KHsoftware/Balsac/index.html   (program download)
http://www.fhi-berlin.mpg.de/KHsoftware/Balsac/Balsac3.pdf   (Balsac manual, V. 3.00)
http://www.fhi-berlin.mpg.de/KHsoftware/Balsac/pictures.html   (Balsac picture gallery)
SARCH, LATUSE, PLOT3D, surface visualization and analysis (DOS, outdated)
http://www.fhi-berlin.mpg.de/KHsoftware/SLP/index.html

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Kommentar

This lecture covers important methods of theoretical crystallography applied to systems in three and two dimensions. It will provide students and researchers with a good understanding of local geometries and symmetries at ideal single crystal surfaces. This knowledge is important for many experimental and theoretical studies of physical as well as chemical phenomena at surfaces. The lecture covers amongst other subjects

3-dimensional crystal lattices
classification schemes, alternative lattice descriptions, Bravais lattices, lattice basis representation, 3-dim. symmetry, neighbor shells, incommensurate and quasicrystals
Netplanes and monolayers
reciprocal lattice, netplane-adapted lattice basis, Miller indices, cubic and 4-index notation, 2-dim. symmetry, netplane stacking, densest netplanes, number theoretical methods, Minkowski reduction
Ideal single crystal surfaces
vicinal stepped and kinked surfaces, Miller index decomposition, surface notation, warped surfaces (faceting)
Real crystal surfaces
reconstruction, relaxation, imperfections, crystal growth, experimental studies, NIST surface structure database
Adsorbate systems
atomic and molecular adsorbates, periodic overlayers (commensurate, incommensurate), 2x2 matrix nomenclature, Wood notation, interference lattices and moiré patterns

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Literaturhinweise

Literature:

Prof. Dr. Klaus Hermann, Inorganic Chemistry Department, Fritz-Haber-Institut der MPG, Berlin

C. Giacovazzo et al., “Fundamentals of Crystallography”, IUCr Texts on Crystallography 2, Oxford Science Publishing 1998, ISBN 0 19 855578 4.
K. Hermann, “Crystallography and Surface Structure: an introduction for surface scientists and nanoscientists”, Wiley-VCH, ISBN 978-3-527-41012-5, Berlin 2011.
R.W.G. Wyckoff, "Crystal Structures" Vol. I-VI, Interscience Pub., New York 1963.
“International Tables for Crystallography”, Vol. A, T. Hahn (Ed. 1965, 1983, 1987), Reidel Publishing, Boston.
G. Burns and A. M. Glazer, “Space Groups for Solid State Scientists”, 2nd Ed., Academic Press, New York 1990.
H. Ibach, "Physics of Surfaces and Interfaces", Springer Berlin / Heidelberg 2006.
J.C. Slater, "Symmetry and Energy Bands in Crystals", Dover Publications, New York 1972.
J.F. Nicholas in Landold-Börnstein, New Series, "Physics of Solid Surfaces, Subvolume a, Structure", Bd. III/24a, Springer Berlin / Heidelberg 1993.
P.R. Watson, M.A. Van Hove, and K. Hermann, "Atlas of Surface Crystallography based on the NIST Surface Structure Database (SSD)", J. Phys. Chem. Ref. Data, Monograph Series, Vol. 5a, b, American Chemical Society, Washington 1994.
M.S. Dresselhaus, G. Dresselhaus, and A. Jorio, “Group Theory, Application to Physics of Condensed Matter“, Springer-Verlag, Heidelberg (2008).
K. Hermann, Surf. Rev. and Lett. 4, 1063 (1997).
K. Hermann, “Periodic Overlayers and Moiré Patterns: theoretical studies of geometric properties”, J. Phys.: Condensed Matter 24, 314210 (2012).
M.A. Van Hove, W.H. Weinberg, and C.M. Chan, "Low Energy Electron Diffraction", Springer Series in Surface Science, Vol. 6, Heidelberg 1986.
D.P. Woodruff and T. A. Delchar, "Modern Techniques of Surface Science", Cambridge University Press 1986 (2nd Ed. 1996).
P.R. Watson, M.A. Van Hove, and K. Hermann, “Open Surface Structure Database”, open source version of NIST Surface Structure Database (SSD), Standard Reference Database 42, Software Version 5 (2003), see http://www.fhi-berlin.mpg.de/KHsoftware/ossd/index.html.

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16 Termine

Regelmäßige Termine der Lehrveranstaltung

Di, 14:00 - 16:00 16 Termine

Di, 13.10.2015 14:00 - 16:00

Dozenten:
Prof. Dr. Klaus Hermann