Connétable, Damien and Timoshevskii, Vladimir and Masenelli, Bruno and Beille, J. and Marcus, Jacques and Barbara, Bernard and Saitta, Antonino Marco and Rignanese, Gian-Marco and Mélinon, Patrice and Yamanaka, Shoji and Blase, Xavier Superconductivity in doped sp3 semiconductors: The case of the clathrates. (2003) Physicla Review Letters, vol. 91 (n° 24). pp. 247001-247001.
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Official URL: http://dx.doi.org/10.1103/PhysRevLett.91.247001
We present a joint experimental and theoretical study of the superconductivity in doped silicon clathrates. The critical temperature in Ba-8@Si-46 is shown to strongly decrease with applied pressure. These results are corroborated by ab initio calculations using MacMillan's formulation of the BCS theory with the electron-phonon coupling constant lambda calculated from perturbative density functional theory. Further, the study of I-8@Si-46 and of gedanken pure silicon diamond and clathrate phases doped within a rigid-band approach show that the superconductivity is an intrinsic property of the sp(3) silicon network. As a consequence, carbon clathrates are predicted to yield large critical temperatures with an effective electron-phonon interaction much larger than in C-60.
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