No CrossRef data available.
Article contents
Nonlinear Response of Solids and Molecules in Intense Infrared Radiation
Published online by Cambridge University Press: 10 February 2011
Abstract
Infrared radiation, which couples with vibrations in molecules and solids, has long been considered as a promising way to selectively control chemical reactions, materials processing, and biomedical applications. The expectation is that particular frequencies couple to specific atomic motions, in contrast to heat which imparts energy indiscriminately. The promise has yet to be fulfilled, but recent successes and the development of new lasers have rekindled interest. We report calculations of the dynamics of solids and molecules under intense infrared radiation. In solids, using a model calculation, we find that narrowly-defined “windows of opportunity” exist for resonant enhancement of impurity diffusion at moderate intensities. In molecules, using a generalization of Car-Parrinello dynamics, we find that, for very intense fields, energy absorption at normal modes is not very efficient and that selective bond-breaking may occur at nonresonant frequencies by “concerted kicks”. Finally, time-dependent density functional theory is used to show that the effect of very intense infrared radiation on atoms and molecules is to produce very high harmonics as found experimentally.
- Type
- Research Article
- Information
- Copyright
- Copyright © Materials Research Society 1999