Roger H. French

University of Pennsylvania

Materials Science Dept.

Optical Property Based 
            Electronic Structure Studies

Materials and Microstructure Design

Electronic Structure Tools

Materials and Microstructure Design

Materials screening allows us to rapidly survey the optical properties and electronic structure, along with the additional physical properties which are required for a particular application.  Once a broad database of materials and properties has been established in the materials screening phase then we embark on the materials development phase in which the material is optimized to meet the multiple, and sometimes contradictory, property requirements.  

Optical Property Based Electronic Structure Studies

Optical property based electronic structure studies emphasize the interatomic bonding and interband transitions of materials, elucidating their physical
properties and opening the opportunity for materials optimization

These studies form the basis for our materials and microstructure design work, developing novel ceramic and polymeric materials for optical applications which span from semiconductor photolithography to pigmented paints and coatings.  

Electronic Structure Tools

Optical properties, such as the interband transition strength (Jcv), or the dielectric constant (epsilon), serve as the quantitative electronic
structure basis for comparisons of experimental vacuum ultraviolet (VUV) reflectance results, spatially resolved (< 1 nm) valence electron energy loss
(SR-VEEL) results and theoretical LDA band structure results. This is accomplished using Kramers Kronig dispersion analysis.  Once the optical properties and electronic structure tools have been developed we are ready for the next step.

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Comment: (c) 2009 Roger H. French , frenchrh@lrsm.upenn.edu
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