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.
Host:  Einstein
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