Department of Physics, Engineering Physics & Astronomy

Department of Physics, Engineering Physics & Astronomy
Department of Physics, Engineering Physics & Astronomy

Are Conductivity and Permittivity Accessible to Quantum Mechanics?

Gary D. Knight
University of Ottawa

Thursday, October 25, 2007
10:30 AM @ Stirling 501

Abstract:

Careful study of nanoscale objects cannot rely on handbook permittivities, as reference film structures and characterization methods may not apply, thanks to effects of geometry, reconstruction layers, impurities, dislocations, dielectric embedding, and surface roughness -- among others. Drude permittivity of a metal cluster or grain (including coupled response of multiple grains) can be dominated by carrier mobility fields, each point being affected by non-local surface scattering of conduction electrons. A 'decohering-propagator method' (DPM) called 3CPO, involving density propagators for electron ensembles obeying a Beer-Lambert law of coherence-extinction as a functional of relaxation was developed for electrical and thermal transport models. We will discuss its applicability to the problem of size-affected permittivity, as a non ab-initio, or quantum-statistical development in broad comparison to DFT (or TD DFT in linear response regime) approaches that engage functionals of exchange and correlation.