References & Citations
Condensed Matter > Superconductivity
Title: Small Fermi energy and phonon anharmonicity in MgB_2 and related compounds
(Submitted on 5 Dec 2001 (v1), last revised 3 Apr 2002 (this version, v2))
Abstract: 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.
Submission history
From: Giovanni B. Bachelet [view email][v1] Wed, 5 Dec 2001 17:57:36 GMT (24kb)
[v2] Wed, 3 Apr 2002 10:03:54 GMT (25kb)