Connétable, Damien and Timoshevskii, Vladimir and Masenelli, B. and Beille, J. and Marcus, J. and Barbara, B. and Saitta, A.M. and Rignanese, G.M. and Mélinon, P. and Yamanaka, S. 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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