Nanotech 2010

Towards Reduction of Optical Losses in Transition Metal Based Nanomaterials

A.V. Gavrilenko, C.A. Gonder, D.J. Baker, C.S. McKinney, V.I. Gavrilenko
Norfolk State University, US

Keywords: silver, surface, optical, losses, alloys


First principles density functional theory is applied to study effects of molecular adsorption on silver (111) oriented nanofilms and alloying effects of Ag1-xCdx, and Ag1-xInx on optical losses. Ground states of the systems including methanol, ethanol, and water molecules adsorbed on Ag(111) surface are obtained by the total energy minimization method within the local density approximation. Optical functions are calculated within the Random Phase Approximation approach. Changes of the optical absorption spectra caused by the variations of the alloy contents are studied in the range of x-values varying up to 6 percent. Substantial modifications of the real and imaginary parts of the dielectric functions spectra in near infrared and visible spectral regions, caused by surface states and molecular adsorption, are obtained. Strong increase of optical losses in infrared and visible range is predicted. In contrast to the infrared and visible region, the molecular adsorption in ultraviolet reduces optical losses. The most important findings are the optical losses control mechanisms that include electron states re-hybridization and redistribution of electronic charge densities caused by molecular adsorption and alloying effects. The results of the work highlight ways for modern nanotechnology for achieving desired optical properties of nanomaterials.
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