Evaluation of Born and local effective charges in unoriented materials from vibrational spectra
Materials Science
2009-09-30 v2 Mesoscale and Nanoscale Physics
Abstract
We present an application of the Lorentz model in which fits to vibrational spectra or a Kramers Kronig analysis are employed along with several useful formalisms to quantify microscopic charge in unoriented (powdered) materials. The conditions under which these techniques can be employed are discussed, and we analyze the vibrational response of a layered transition metal dichalcogenide and its nanoscale analog to illustrate the utility of this approach.
Keywords
Cite
@article{arxiv.0904.3322,
title = {Evaluation of Born and local effective charges in unoriented materials from vibrational spectra},
author = {X. S. Xu and Q. -C. Sun and J. L. Musfeldt},
journal= {arXiv preprint arXiv:0904.3322},
year = {2009}
}
Comments
9 pages, 1 figure