Work

Evaluation of Born and local effective charges in unoriented materials from vibrational spectra

Year: 2009

Type: article

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.

Source: Physical Review B

DOI: 10.1103/physrevb.80.014303

Authors: X. S. Xu, Q.-C. Sun, R. Rosentsveig, J. L. Musfeldt

Institutions: University of Tennessee at Knoxville, Weizmann Institute of Science

Language: English

Topic: 2D Materials and Applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funder: Oak Ridge National Laboratory

OpenAlex ID: W2082313918

FWCI: 0.566

Cites: 21

Cited by: 5

Related to: 10