Small Fermi energy and phonon anharmonicity in MgB_2 and related compounds

Details Small Fermi energy and phonon anharmonicity in MgB_2 and related compounds Small Fermi energy and phonon anharmonicity in MgB_2 and related compounds

2001-12-05

arxiv.org/abs/cond-mat/0112075v2

Physics

Condensed Matter

Superconductivity

5 pages, 2 figures replaced with final version, accepted on Physical Review B

Scientific paper

10.1103/PhysRevB.65.214501

The remarkable anharmonicity of the E_{2g} phonon in MgB_2 has been suggested in literature to play a primary role in its superconducting pairing. We investigate, by means of LDA calculations, the microscopic origin of such an anharmonicity in MgB_2, AlB_2, and in hole-doped graphite. We find that the anharmonic character of the E_{2g} phonon is essentially driven by the small Fermi energy of the sigma holes. We present a simple analytic model which allows us to understand in microscopic terms the role of the small Fermi energy and of the electronic structure. The relation between anharmonicity and nonadiabaticity is pointed out and discussed in relation to various materials.

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