Realization of New and Enhanced Materials Properties Through Nanostructural Control

Abstract

Improved quantum (TD-DFT with explicit consideration of reaction fields) and statistical mechanical (pseudoatomistic Monte Carlo/Molecular Dynamics) methods have been used to guide the design of novel new organic electroactive materials (e.g., electro-optic binary chromophore organic glasses). These new materials have yielded electro-optic coefficients as high as 450 pm/V (15 times lithium niobate) with auxiliary properties of modest optical loss (less than 2 dB/cm) and good thermal stability (material glass transition temperatures greater than 200 deg C). First principles simulation of electro-optic activity has been achieved for the first time and theoretical conclusions have been verified by a number of new measurement techniques including femtosecond, wavelength-agile hyper Rayleigh scattering (HRS), attenuated total reflection (ATR) using a rutile prism for measurements at 1.3 and 1.55 microns wavelength, polarized absorption spectroscopy, and molecular level resolution techniques.

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Document Details

Document Type
Technical Report
Publication Date
Jun 11, 2007
Accession Number
ADA589656

Entities

People

  • Bruce H. Robinson
  • Larry Dalton

Organizations

  • University of Washington

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Chemistry
  • Composite Materials
  • Computational Chemistry Methods
  • Density Functional Theory
  • Electrical Engineering
  • Glass Transition Temperature
  • Materials
  • Materials Science
  • Measurement
  • Molecular Dynamics
  • Optical Materials
  • Optical Phenomena
  • Optical Properties
  • Optics
  • Physical Properties
  • Thermal Stability
  • Transition Temperature

Fields of Study

  • Physics

Readers

  • Optical Physics and Photonics.
  • Quantum Chemistry

Technology Areas

  • Microelectronics
  • Quantum Computing