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  4. Electric field exfoliation and high-T-C superconductivity in field-effect hole-doped hydrogenated diamond (111)
 
research article

Electric field exfoliation and high-T-C superconductivity in field-effect hole-doped hydrogenated diamond (111)

Romanin, D.
•
Sohier, Thibault  
•
Daghero, D.
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December 1, 2019
Applied Surface Science

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 = 2.84 x 10(13) cm(-2) to n = 6 x 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 a doping level as large as n = 6 x 10(14) cm(-2), the electron-phonon interaction is lambda = 0.81 and superconductivity emerges with T-C approximate to 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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Type
research article
DOI
10.1016/j.apsusc.2019.143709
Web of Science ID

WOS:000488957400080

Author(s)
Romanin, D.
Sohier, Thibault  
Daghero, D.
Mauri, F.
Gonneili, R. S.
Calandra, M.
Date Issued

2019-12-01

Published in
Applied Surface Science
Volume

496

Article Number

143709

Subjects

Chemistry, Physical

•

Materials Science, Coatings & Films

•

Physics, Applied

•

Physics, Condensed Matter

•

Chemistry

•

Materials Science

•

Physics

•

diamond

•

density functional theory

•

ionic gating

•

electronic properties

•

vibrational properties

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electron-phonon interaction

•

transition-temperature

•

surface

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
THEOS  
Available on Infoscience
October 20, 2019
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/162121
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