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Electric field exfoliation and high-T$_{text{C}}$ superconductivity in field-effect hole-doped hydrogenated diamond (111)

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 Added by Davide Romanin
 Publication date 2019
  fields Physics
and research's language is English




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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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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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