We study the effects of C substitutions in MgB2 within the two-band model in the Eliashberg formulation. We use as input the B-B stretching-mode frequency and the partial densities of states N^(sigma)(E_F) and N^(pi)(E_F), recently calculated for Mg(B_(1−x)C_x)_2 at various x values from first-principles density functional methods. We then take the prefactor in the Coulomb pseudopotential matrix, mu, and the interband scattering parameter, Gamma^(sigma,pi), as the only adjustable parameters. The dependence on the C content of Tc and of the gaps (Delta_sigma and Delta_pi) recently measured in Mg(B_(1−x)C_x)_2 single crystals indicate an almost linear decrease of mu on increasing x, with an increase in interband scattering that makes the gaps merge at x=0.132. In polycrystals, instead, where the gap merging is not observed, the fit of the experimental data is obtained without the presence of interband scattering.

Carbon substitutions in MgB2 within the two-band Eliashberg theory / Ummarino, Giovanni; Daghero, Dario; Gonnelli, Renato; Moudden, A. H.. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - STAMPA. - 71:13(2005), pp. 134511-1-134511-6. [10.1103/PhysRevB.71.134511]

Carbon substitutions in MgB2 within the two-band Eliashberg theory

UMMARINO, Giovanni;DAGHERO, Dario;GONNELLI, Renato;
2005

Abstract

We study the effects of C substitutions in MgB2 within the two-band model in the Eliashberg formulation. We use as input the B-B stretching-mode frequency and the partial densities of states N^(sigma)(E_F) and N^(pi)(E_F), recently calculated for Mg(B_(1−x)C_x)_2 at various x values from first-principles density functional methods. We then take the prefactor in the Coulomb pseudopotential matrix, mu, and the interband scattering parameter, Gamma^(sigma,pi), as the only adjustable parameters. The dependence on the C content of Tc and of the gaps (Delta_sigma and Delta_pi) recently measured in Mg(B_(1−x)C_x)_2 single crystals indicate an almost linear decrease of mu on increasing x, with an increase in interband scattering that makes the gaps merge at x=0.132. In polycrystals, instead, where the gap merging is not observed, the fit of the experimental data is obtained without the presence of interband scattering.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11583/1639308
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