Physics – Condensed Matter – Superconductivity
Scientific paper
2002-09-11
Physics
Condensed Matter
Superconductivity
4 pages, two embedded figures. Physica B (in press)
Scientific paper
10.1016/S0921-4526(02)01796-9
The search for other superconductors in the MgB2 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 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 cm^{-1} and 620 cm^{-1}.
An Joonhee M.
Pickett Warren E.
Rosner Helge
Savrasov Sergej Y.
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