An ab-initio approach to the study of optical properties of gold and gold-alloys
Abstract: The electronic and optical properties of metals can be computed from first-principles approaches. Such electronic structure calculations serve as an outstanding tool for the prediction of optical properties and color of precious metals. In this work, we have focused on modeling the optical spectra of gold and gold-based alloys. At first, a comparative approach has been employed in terms of the ab-initio techniques utilized. Methods considered were the Density Functional Theory (DFT) and Many-Body Perturbation Theory (MBPT). Furthermore, for the study of gold-alloys, the trends in the optical properties were investigated, when doping substitutionally the Au in AuAl2 with Pt, at increments of 25 at.%. Finally the colors predicted from all the systems were quantitatively presented, which will all be pointed out in this talk.
Biography: Dr. Deniz Keçik graduated from METU in 2006 and again in 2008 with a BS (high honours) and MS degree in Metallurgical and Materials Engineering. She recently completed her PhD studies at the École Polytechnique Fédérale de Lausanne (EPFL) in Switzerland, and her dissertation related to the "first-principles" examination of the optical traits of gold & gold alloy nanoparticles.