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Migdal-Eliashberg theory of multi-band high-temperature superconductivity in field-effect-doped hydrogenated (111) diamond

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 Added by Erik Piatti
 Publication date 2020
  fields Physics
and research's language is English




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We perform single- and multi-band Migdal-Eliashberg (ME) calculations with parameters exctracted from density functional theory (DFT) simulations to study superconductivity in the electric-field-induced 2-dimensional hole gas at the hydrogenated (111) diamond surface. We show that according to the Eliashberg theory it is possible to induce a high-T$_{text{c}}$ superconducting phase when the system is field-effect doped to a surface hole concentration of $6times10^{14},$cm$^{-2}$, where the Fermi level crosses three valence bands. Starting from the band-resolved electron-phonon spectral functions $alpha^2F_{jj}(omega)$ computed ab initio, we iteratively solve the self-consistent isotropic Migdal-Eliashberg equations, in both the single-band and the multi-band formulations, in the approximation of a constant density of states at the Fermi level. In the single-band formulation, we find T$_{text{c}}approx40,$K, which is enhanced between $4%$ and $8%$ when the multi-band nature of the system is taken into account. We also compute the multi-band-sensistive quasiparticle density of states to act as a guideline for future experimental works.



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We investigate the possible occurrence of field-effect induced superconductivity in the hydrogenated $(111)$ diamond surface by first-principles calculations. By computing the band alignment between bulk diamond and the hydrogenated surface we show that the electric field exfoliates the sample, separating the electronic states at the valence band top from the bulk projected ones. At the hole doping values considered here, ranging from $n=2.84times10^{13}$cm$^{-2}$ to $n=6times 10^{14} $ cm$^{-2}$, the valence band top is composed of up to three electronic bands hosting holes with different effective masses. These bands resemble those of the undoped surface, but they are heavily modified by the electric field and differ substantially from a rigid doping picture. We calculate superconducting properties by including the effects of charging of the slab and of the electric field on the structural properties, electronic structure, phonon dispersion and electron-phonon coupling. We find that at doping as large as $n=6times 10^{14} $ cm$^{-2}$, the electron-phonon interaction is $lambda=0.81$ and superconductivity emerges with $T_{text{C}}approx 29-36$K. Superconductivity is mostly supported by in-plane diamond phonon vibrations and to a lesser extent by some out-of-plane vibrations. The relevant electron-phonon scattering processes involve both intra and interband scattering so that superconductivity is multiband in nature.
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79 - Davide Romanin 2020
We show the possibility of inducing a superconductive phase transition in tetrahedrally coordinated semiconductors via field-effect (FET) doping by taking as an example the hydrogenated (111) silicon surface. We perform density functional theory computations of the electronic and vibrational properties of the system in the proper FET geometry, by taking into account the applied electric field and the induced charge density. Using a simplified superconductive model at $q=Gamma$ and the McMillan/Allen-Dynes formula, we get an estimate of the superconductive critical temperature. We observe that, by heavily doping with holes at $n_{dop}=6cdot10^{14}$ cm$^{-2}$, we get an electron-phonon coupling constant of $lambda_{Si}=0.98$ and a superconductive phase transition at $T_{text{c}}in[8.94;10.91]$ K, with $mu^*in[0.08;0.12]$.
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