Anisotropic Migdal-Eliashberg analysis of superconductivity in layered Li-Mg-B compounds

ORAL

Abstract

LiB, a predicted compound analogous to the MgB2 superconductor, has been recently synthesized via cold compression and quenched to ambient pressure. We reinvestigate the superconducting properties of LiB and find that the electron-phonon coupling anisotropy is as essential as in MgB2. Using the anisotropic Eliashberg formalism, we predict a critical temperature (Tc) to be in the 32-42 K range, three times higher than prior estimates based on isotropic calculations. We probe other Li-Mg-B binary and ternary layered materials and find metastable phases with Tc close to or even 10-20% above the record 39 K value in MgB2.

*This work was supported by National Science Foundation (NSF) Grant No. DMR-2132586 and DMR-2132589. The computational resources were provided by XSEDE (TG-DMR180071), which is supported by NSF Grant No. ACI-1548562, and by the Frontera supercomputer at the Texas Advanced Computing Center via the Leadership Resource Allocation (LRAC) Grant No. 2103991 (allocation DMR22004), supported by NSF Award No. OAC-1818253.

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Publication: G. P. Kafle, C. R. Tomassetti, I. I. Mazin, A. N. Kolmogorov, and E. R. Margine, Ab Initio Study of Li-Mg-B Superconductors, Physical Review Materials 6, 084801 (2022).

Presenters

  • Gyanu P Kafle

    • Binghamton University

Authors

  • Gyanu P Kafle

    • Binghamton University

  • Charlsey Tomassetti

    • Binghamton University

  • Igor I Mazin

    • George Mason University
    • Department of Physics and Astronomy, George Mason University; Quantum Science and Engineering Center, George Mason University

  • Aleksey Kolmogorov

    • Binghamton University

  • Elena R Margine

    • Binghamton University