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14 Apr 2017
Prashant K Jain
14 Apr 2017
DDA solves for the electrodynamic interaction of a structure with light. The response of the structure is encoded through its complex dielectric function (either measured by ellipsometry or obtained from electronic structure calculations). As long as you have a reasonable size-corrected complex dielectric function (often in the form of n+ik as a function of frequency) for ZnO nanoparticles, you can run a simulation and obtain the optical properties. Best wishes,
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18 Apr 2017
Thank you sir for your kind reply. Sir, I've done the simulation of ZnO nanoparticle in DDA method. But in absorption vs. wavelength spectra, straight line is obtained. Since the band gap of ZnO is 3.37 eV, a peak should be found near 326nm which is unfortunately missing. Suppose the value of absorbance (A) is 0.652 at 326nm and the thickness of cuvet is 1cm. So when I calculate k= (absorption coefficient*wavelength)/(4*3.14), the value of k is in the order of 10-7. That is why when I calculate the complex dielectric constant, its imaginary part is not granted by the software because of its very small value (10-14). What to do now?
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