Vibrational properties of hexagonal LiBC: Infrared and Raman spectroscopy
J. Hlinka, V. Zelezny, I. Gregora, J. Pokorny, A. M. Fogg, J. B., Claridge, G. R. Darling, M. J. Rosseinsky
TL;DR
This study investigates the vibrational properties of hexagonal LiBC using infrared and Raman spectroscopy, confirming theoretical predictions and assigning all active vibrational modes.
Contribution
It provides experimental vibrational spectra of LiBC and confirms ab-initio predictions of large Born effective charges on B-C graphene sheet nodes.
Findings
All infrared and Raman active modes were assigned.
Confirmation of large Born effective charges on B-C graphene sheets.
Experimental spectra agree with theoretical calculations.
Abstract
The paper presents infrared reflectivity and micro-Raman scattering spectra of LiBC powder pellets. The experiment allowed assignment of frequencies of all infrared and Raman active zone center modes. Results are compared with available ab-initio calculations; prediction of large Born effective charges on the nodes of B-C graphene sheets is confirmed.
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