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Refraction Indices of Non-Uniform Systems from the First Principles

Published online by Cambridge University Press:  15 March 2011

Liudmila A. Pozhar
Liudmila A. Pozhar*
Affiliation:
University of Idaho, Department of Physics, P.O. Box 440903, Moscow, ID 83844, U.S.A.
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Abstract

A novel, first-principle theoretical approach and synergetic computational methods designed to predict electronic and magnetic transport properties of strongly spatially inhomogeneous systems, including small quantum dots and wires (QDs and QWs, respectively), and molecules, have been developed recently. This approach is based on a many-body quantum theoretical formalism - a projection operator method due to Zubarev and Tserkovnikov (ZT) - formulated in terms of the equilibrium, two-time temperature Green functions (or TTGFs). There are several significant advantages of this approach, as compared to traditional non-equilibrium two-time thermodynamic and field-theoretical Green's function (NGF) methods that are currently used to study electronic and magnetic transport properties of strongly spatially inhomogeneous systems. In particular, the TTGFs are directly related to experimentally assessable microscopic charge, spin and microcurrent densities.

In the work reported here the TTGF-based approach has been used to derive a fundamental, yet tractable expression for the space-time Fourier transform of the tensor of quasi-local refraction indices (TRI) from the first principles. The TTGFs necessary to predict TRI can be calculated using quantum statistical mechanical means, modeling and simulations, and experimental data. Applications of the theoretical predictions for TRI open new prospects in materials design. In particular, the derived theoretical expression for TRI can be used to guide experimental synthesis of structured materials and systems with both direction- and position-dependent indices of refraction in desirable frequency ranges.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1223 , 2009 , 1223-EE03-12
Copyright
Copyright © Materials Research Society 2010

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