Experimental and Theoretical Studies of Molecular Solids
Abstract
Work over a three year period on the optical and dielectric properties of a sequence of ionic molecular solids such as K2SeO4, KNO, and NaNO2 is described. This work had both experimental and theoretical components. Principally the experiments used light scattering and birefringence to monitor structural and optical changes associated with solid-solid phase transitions. Theoretical studies concentrated on developing a unified theory of the ionic interactions in these systems which resulted in parameter free molecular dynamics simulations which closely reproduced the observed transition and structural behavior of these increasingly complex systems. Ferroelectrics, Phase, Transitions, Ionic, Molecular, Solids
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 01, 1993
- Accession Number
- ADA275511
Entities
People
- Frank G. Ullman
- John R. Hardy
Organizations
- University of Nebraska–Lincoln