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Published September 2024 | Published
Journal Article Open

Unraveling the role of boron dimers in the electrical anisotropy and superconductivity in boron-doped diamond

Abstract

We use quantum mechanics (QM) to determine the states formed by B dopants in diamond. We find that isolated B sites prefer to form BB dimers and that the dimers pair up to form tetramers (BBCBB) that prefer to aggregate parallel to the (111) surface in the <110> direction, one double layer below the H-terminated surface double layer. These tetramers lead to metallic character (Mott metal Insulator Transition) with holes in the valence band near the Γ point and electrons in the BBCBB tetramer promoted band along the X direction. Our experiments find very significant anisotropy in the superconductivity for boron-doped diamond thin films prepared with Microwave Plasma Assisted Chemical Vapor Deposition using deuterium-rich plasma. This leads to much higher conductivity in the X direction than the Y direction, as predicted by the QM. This phase transition to the anomalous phase is linked with the emergence of boson quantum entanglement states behaving as a bosonic insulating state. These anisotropic superconducting properties of the diamond film might enable applications such as single-photon detectors. We expect that this formation of a dirty superconductivity state is related to the BBCBB tetramers found in our QM calculations.

Copyright and License

© 2024 Published by Elsevier.

Acknowledgement

W.A.G acknowledges support from the NSF (CBET-2311117); this work used the Extreme Science and Engineering Discovery Environment (XSEDE) for DFT calculations, which is supported by the NSF grant number ACI-1548562; S.K. acknowledges support from the Resnick Sustainability Institute at Caltech. R.B. acknowledges the support of these studies from Gdańsk University of Technology by the DEC-12/2023/IDUB/IV.2/EUROPIUM grant under the Europium Short-Term Outgoing Visits - ‘Excellence Initiative - Research University’ program. P.P.M. was supported by the National Centre for Research and Development, Poland, project No. LIDER/8/0055/L-12/20/NCBR/2021.

Contributions

Michał Sobaszek: Writing – original draft, Visualization, Validation, Supervision, Methodology, Investigation, Formal analysis, Conceptualization. Soonho Kwon: Writing – original draft, Visualization, Investigation, Formal analysis. Tomasz Klimczuk: Writing – original draft, Investigation, Formal analysis. Paweł P. Michałowski: Data curation, Formal analysis, Writing – original draft. Jacek Ryl: Writing – original draft, Investigation, Formal analysis. Bogdan Rutkowski: Writing – original draft, Investigation. Dongying Wang: Investigation. Xinwei Li: Investigation. Marc Bockrath: Writing – review & editing, Project administration, Investigation, Formal analysis. Robert Bogdanowicz: Writing – review & editing, Supervision, Project administration. William A. Goddard: Writing – review & editing, Writing – original draft, Supervision, Project administration, Investigation, Formal analysis.

Data Availability

Supplementary data

Conflict of Interest

The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

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Additional details

Created:
June 26, 2024
Modified:
June 26, 2024