Summary: Computational physics
Comparison between calculated LDOS and measured NEXAFS for carbon allotropes
Eduardo Warszawski,1, Alon Hoffman,1, Amihai Silverman,1, and Joan Adler1,
The Local Density of States (LDOS) spectra for different regions carbon allotropes and
mixtures are characteristic of the local geometrical structure. After creating carbon samples
with specific features (such as vacancies, or graphite/diamond boundaries) we calculate
these spectra using the PLATO tightbinding molecular dynamics package, and observe our
samples with the AViz atomistic visualization package. AViz enables us to directly observe
bond lengths and angles. The NEXAF (Near Edge X-ray Absorption Fine Structure) spec-
troscopic technique can be used to measure specific bonds and orientations.
In this project we are comparing the calculated LDOS spectra of atoms in specific struc-
tures with EXAFS measurements.
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