Theoretical Study of Electronic Structure and Superconductivity in Nb_(1-x)B_2 Alloys

Details Theoretical Study of Electronic Structure and Superconductivity in Nb_(1-x)B_2 Alloys Theoretical Study of Electronic Structure and Superconductivity in Nb_(1-x)B_2 Alloys

2003-04-18

arxiv.org/abs/cond-mat/0304437v1

Physica C 391, 125 (2003)

Physics

Condensed Matter

Superconductivity

10 pages, 4 figures

Scientific paper

10.1016/S0921-4534(03)01091-8

Using the Korringa-Kohn-Rostoker coherent-potential approximation in the atomic-sphere approximation (KKR-ASA CPA) we have studied the changes in the electronic structure and the superconducting transition temperature T_{c} in Nb_{1-x}B_{2} alloys as a function of x. We find that the variation in the electronic structure of Nb_{1-x}B_{2} alloys as a function of x is consistent with the rigid-band model. However, the variation of T_{c}, obtained using the Allen-Dynes equation within the Gaspari-Gyorffy formalism to estimate the electron-phonon matrix elements, does not follow the expected trend. We associate this disagreement to the use of a constant \omega_{rms} in the Allen-Dynes equation over the whole range of vacancy concentration, thereby indicating the importance of lattice dynamical effects in these systems.

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