Acoustical-Mode-Driven Electron-Phonon Coupling in Transition-Metal Diborides

Details Acoustical-Mode-Driven Electron-Phonon Coupling in Transition-Metal Diborides Acoustical-Mode-Driven Electron-Phonon Coupling in Transition-Metal Diborides

2002-12-18

arxiv.org/abs/cond-mat/0212443v1

Physical Review B 67, 132511 (2003)

Physics

Condensed Matter

Superconductivity

4 pages, 4 figures, and 1 table

Scientific paper

10.1103/PhysRevB.67.132511

We show that the electron-phonon coupling in the transition-metal diborides NbB2 and TaB2 is dominated by the longitudinal acoustical (LA) mode, in contrast to the optical E_{2g} mode dominated coupling in MgB2. Our ab initio results, described in terms of phonon dispersion, linewidth, and partial electron-phonon coupling along Gamma to A, also show that (i) NbB2 and TaB2 have a relatively weak electron-phonon coupling, (ii) the E_{2g} linewidth is an order of magnitude larger in MgB2 than in NbB2 or TaB2, (iii) the E_{2g} frequency in NbB2 and TaB2 is considerably higher than in MgB2, and (iv) the LA frequency at A for TaB2 is almost half of that of MgB2 or NbB2.

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