Ab Initio Lattice Dynamics of MgB2 |
| K. Parlinski Institute of Nuclear Physics, Radzikowskiego 152, 31-342 Cracow, Poland |
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| Using the density functional theory, the phonon dispersion relations, the phonon density of states, mean square displacemens, and thermodynamic funtions of superconducting MgB2 crystals have been calculated. The modes of graphite-like boron network belong to optic phonon branches, which are rather independent of the Mg vibrations. |
| DOI: 10.12693/APhysPolA.100.767 PACS numbers: 63.20.--e, 74.20.--z |