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Vibrational Modes in LiBC: Theory Compared with Experiment
J. M. An, H. Rosner, S. Y. Savrasov +1
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 bett…
Extreme Electron-Phonon Coupling in Boron-based Layered Superconductors
J. M. An, S. Y. Savrasov, H. Rosner +1
The phonon-mode decomposition of the electron-phonon coupling in the MgB2-like system Li_{1-x}BC is explored using first principles calculations. It is found that the high temperat…
Fermi Surfaces of Diborides: MgB2 and ZrB2
H. Rosner, J. M. An, W. E. Pickett +1
We provide a comparison of accurate full potential band calculations of the Fermi surfaces areas and masses of MgB2 and ZrB2 with the de Haas-van Alphen date of Yelland et al. and…
Superconductivity of MgB2: Covalent Bonds Driven Metallic
J. M. An, W. E. Pickett
A series of calculations on MgB2 and related isoelectronic systems indicates that the layer of Mg(2+) ions lowers the non-bonding B "pi" (p_z) bands relative to the bonding "sigma"…