Simulation of the Loading Parameter in Organic Nonlinear Optical Materials
| Autor: | Robert D. Nielsen, Harrison L. Rommel, Bruce H. Robinson |
|---|---|
| Rok vydání: | 2004 |
| Předmět: |
Materials science
business.industry Poling Monte Carlo method Hyperpolarizability Statistical mechanics Chromophore Molecular physics Organic nonlinear optical materials Surfaces Coatings and Films Dipole chemistry.chemical_compound Optics chemistry Lattice (order) Materials Chemistry Physical and Theoretical Chemistry business |
| Zdroj: | The Journal of Physical Chemistry B. 108:8659-8667 |
| ISSN: | 1520-5207 1520-6106 |
| Popis: | The optical properties of organic chromophores, in the class of nonlinear optical molecules, have improved dramatically. These chromophores have large hyperpolarizability and large permanent dipole moments, in excess of 10 D. When these molecules are mixed with a host polymer at high chromophore density and processed using an aligning electric poling field, the resulting material does not have the electro-optic (EO) response promised by the individual molecules. We have used equilibrium statistical mechanics, and Monte Carlo (MC) methods in a lattice-based model, to investigate how the molecular properties translate into the EO response of the material. We compare our MC results with a previously developed analytic theory and find good agreement when certain assumptions about the analytic theory are made. By use of the MC methods to compute order parameters for chromophores at high density on a lattice in the presence of an external uniform poling field, we find that greater order and hence greater EO per... |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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