Vibrational modes in LiBC: theory and experiment

• Published in: Physica. B, Condensed matter Vol. 328; no. 1; pp. 1 - 5
• Main Authors: An, J.M., Rosner, H., Savrasov, S.Y., Pickett, W.E.
• Format: Journal Article Conference Proceeding
• Language: English
• Published: Amsterdam Elsevier B.V 01-04-2003; Elsevier
• Subjects: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Exact sciences and technology; Infrared; Linear response; Lithium borocarbide; Magnesium diboride; Metals, alloys and compounds (a15, 001c15, laves phases, chevrel phases, borocarbides, etc.); Phonons; Physics; Properties of type I and type II superconductors; Raman; Superconducting materials (excluding high-tc compounds); Superconductivity; Ternary, quaternary and multinary compounds (including Chevrel phases, borocarbides etc.); Lithium borocarbide; Linear response; Infrared; 63.20.−e; 74.10.+v; 63.20.Dj; Phonons; Raman; Magnesium diboride; 74.25.Kc; Raman spectra; Inorganic compounds; Lithium Borides carbides; 63.20.-e; Hole density; Ternary compounds; Doping; Theoretical study; 74.10. + v; Vibrational modes; High-Tc superconductors; Infrared radiation; Phonon spectra; 74.25.Kc Lithium borocarbide
• ISSN: 0921-4526; 1873-2135
• DOI: 10.1016/S0921-4526(02)01796-9

The search for other superconductors in the MgB
2 class currently is focussed on Li
1−
x
BC, which when hole-doped (concentration
x) should be a metal with the potential to be a better superconductor than MgB
2. 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
.