Condensed Matter Physics Seminar
2 p.m., Thursday, October 28, 2004
Room 1201, Physics Building
Some examples in theory and computation in nano-science
Sanjay V. Khare
(Dept. of Physics and Astronomy, University of Toledo, Ohio)
Abstract: Nano-science and nano-technology have become the locus of
attention of condensed matter researchers in recent years. This has led to
fruitful synergy between contemporaneous experimental and theoretical work.
Three distinct examples from my own research where this has materialized will be
shown. (i) Real time low energy electron microscopy (LEEM) observations of
dislocation driven surface dynamics on TiN(111) were made. Using an analytical
model we proposed a mechanism of dislocation assisted mass transport from the
bulk to the surface to explain the observations. [S. Kodambaka et al., Nature
429, 49 (2004)]. (ii) It has not been possible to measure atomic medium range
order in disordered materials by conventional diffraction transmission electron
microscopy experiments (TEM). A recently developed experimental technique,
fluctuation TEM can be related to medium range order. We carried out simulations
of models of amorphous Si to show how medium range order affects these
measurements [S. V. Khare et al., Appl. Phys. Lett. 85, 745 (2004)]. (iii) Using
density functional theory (DFT) calculations we are exploring how graphite, a
traditionally "inert" considered substrate, induces structural changes in
metallic nanostructures that can lead to near-bulk bond-lengths in nano-particles
containing less than 100 atoms.
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Host: Einstein
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