1. Realistic electric field modeling of multilayered nanostructures by classic electrodynamics and first principles theory
- Author
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A. V. Gavrilenko, L. G. Il'chenko, V. I. Gavrilenko, and V. V. Il'chenko
- Subjects
Physics ,Work (thermodynamics) ,Nanostructure ,Electric field ,Quantum electrodynamics ,Dispersion (optics) ,Physics::Optics ,Metamaterial ,Density functional theory ,Reduction (mathematics) ,Quantum - Abstract
E cient engineering of metamaterials involves modeling of electric eld pro les around these structures. Realisticmodeling of the electric eld in metamaterials requires accurate knowledge of optical constants of the compo-nents for which traditionally the bulk values are taken. Further progress in the developing of metamaterials ischaracterized by a reduction of the pattern size, dimensions of single layers in multilayered structures etc. Ithas been understood that optical functions in low-dimensional and nano-sized materials substantially di er fromtheir bulk values increasingly a ecting by quantum processes. In this work we develop a complex method foranalytical modeling of electric eld pro les in metamaterials including quantum processes in nano-sized multi-layered structures. In particular based on rst principles density functional theory we obtained simple analyticalfunctions allowing predictions the optical functions variations with the size reduction of single metamaterialcomponents over a wide spectral region. It is shown that optical functions of nano-sized lms substantially (by50 percent and more) di er from those in bulk. The new calculated optical functions of the components areused for electric eld pro le modeling of nano-sized multilayered structures by nonlocal Green function techniqueincluding e ects of spatial dispersion. Silicon, silicon dioxide, and water layers are used as an example. Themethod e ectively incorporates real atomic structure reconstruction on surfaces and inner interfaces thus pro-viding with a more realistic picture for modeling. By comparison with experiment it is demonstrated that ourmethod predicts image potential of the nanostructures in better agreement with experiment than if using tradi-tional classic electrodynamics approach neglecting the quantum e ects. The results are discussed in comparisonwith literatureKeywords: Non-local electrodynamics, image potential, nano-structures, density functional theory.
- Published
- 2013