Abstract
We investigate the physical properties of compressed gray phosphorus through density functional plus dynamical mean-field theory, showing self-doping and \(s\)-wave electronic structure reconstruction. At commensurate electron density, the \(3p\) spectrum is shown to be almost unaffected by electronic correlations, however upon self-doping largely the normal and superconducting states. These findings provide a microscopic understanding of pressure-induced hole carrier superconductivity on the normal state coherence of \(s\)-wave superconductors with well-defined Bogoliubov quasiparticles at low temperatures. Upon internal thermalization, the \(s\)-wave superconducting state loses its phase coherence.
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Data Availibility Statement
This manuscript has no associated data or the data will not be deposited. [Authors’ comment: This is a purely computational work, and all the data related to this work is provided in the form of figures within this article.]
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Acknowledgements
L.C.’s work is supported by CNPq (Grant No. 304035/2017-3). Acknowledgment (L.C. and S.S.C.) is also made to CAPES. S.L. thanks ARCCA Cardiff for computational resources.
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SL carried out the LDA calculations. LC designed and carried out the LDA + DMFT study. The authors contributed to the scientific discussions and the preparation of the manuscript, and approved the final version of the manuscript.
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Craco, L., Carara, S.S. & Leoni, S. Landau-Fermi liquidness and \(s\)-wave superconducting properties of pressurized gray phosphorus. Eur. Phys. J. B 94, 115 (2021). https://doi.org/10.1140/epjb/s10051-021-00121-y
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DOI: https://doi.org/10.1140/epjb/s10051-021-00121-y