Vibrational modes in LiBC: Theory and experiment
Document Type
Conference Proceeding
Publication Date
4-1-2003
Abstract
The search for other superconductors in the MgB2 class currently is focussed on Li1-xBC, which when hole-doped (concentration x) should be a metal with the potential to be a better superconductor than MgB2. Here we present the calculated phonon spectrum of the parent semiconductor LiBC. The calculated Raman-active modes are in excellent agreement with a recent observation, and comparison of calculated IR-active modes with a recent report provides a prediction of the LO-TO splitting for these four modes, which is small for the B-C bond stretching mode at ∼ 1200 cm-1, but large for clearly resolved modes at 540 and 620 cm-1. © 2002 Elsevier Science B.V. All rights reserved.
Identifier
0037400204 (Scopus)
Publication Title
Physica B Condensed Matter
External Full Text Location
https://doi.org/10.1016/S0921-4526(02)01796-9
ISSN
09214526
First Page
1
Last Page
5
Issue
1-2
Volume
328
Grant
DMR-0114818
Fund Ref
Deutscher Akademischer Austauschdienst France
Recommended Citation
    An, J. M.; Rosner, H.; Savrasov, S. Y.; and Pickett, W. E., "Vibrational modes in LiBC: Theory and experiment" (2003). Faculty Publications.  14148.
    
    
    
        https://digitalcommons.njit.edu/fac_pubs/14148
    
 
				 
					