Diboride compounds doped with transition metals: A route to superconductivity through structure stabilization as well as defects
P. M. Dee, J. S. Kim, A. C. Hire, J. Lim, L. Fanfarillo, S. Sinha, J. J. Hamlin, R. G. Hennig, P. J. Hirschfeld, G. R. Stewart
DOI 10.1103/PhysRevB.109.104520 · Physical Review B
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Abstract
Recent investigations into MoB2 have unveiled a direct connection between a pressure-induced structural transition to a P6/mmm space group structure and the emergence of superconductivity, producing critical temperatures up to 32 K at 100 GPa. This pressure-induced superconducting state underscores the potential of doped MoB2 as a possible candidate for metastable superconductivity at ambient pressure. In this work, we demonstrate that doping by Zr, Hf, or Ta stabilizes the P6/mmm structure at ambient pressure and results in the realization of a superconducting state with critical temperatures ranging from 2.4 up to 8.5 K depending on the specific doping. We estimate the electron-phonon coupling λ and the density of states based on resistivity and specific heat data, finding that λ ranges from 0.4 to 0.6 for these compounds. Finally, to investigate the role of possible metastable defect structures on the critical temperature, we analyze MoB2, MoB2.5, and Nb/Zr-doped MoB2 using rapid cooling techniques. Notably, splat quenching produces samples with higher critical temperatures and even retains superconductivity in MoB2 at ambient pressure, achieving a critical temperature of 4.5 K.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Ta0.1Mo0.9B2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 2.4 | Pressure not reported | onset |
| Ta0.25Mo0.75B2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 2.48 | Pressure not reported | onset |
| Ta0.4Mo0.6B2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 3.17 | Pressure not reported | onset |
| Ta0.5Mo0.5B2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 2.46 | Pressure not reported | onset |
| Zr0.04Mo0.96B2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 7.47 | Pressure not reported | onset |
| (Zr0.04Mo0.96)0.85B2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 8.6 | Pressure not reported | onset |
| (Zr0.04Mo0.96)0.85B2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 9.6 | Pressure not reported | onset |
| (Zr0.04Mo0.96)0.85B2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 10.14 | Pressure not reported | onset |
| Hf0.04Mo0.96B2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 6.31 | Pressure not reported | onset |
| (Hf0.04Mo0.96)0.85B2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 8.45 | Pressure not reported | onset |
| MoB2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 4.45 | Pressure not reported | onset |
| MoB2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 4.55 | Pressure not reported | onset |
| MoB2.5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 3.06 | Pressure not reported | onset |
| MoB2.5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 5.82 | Pressure not reported | onset |
| Nb0.25Mo0.75B2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 8.05 | Pressure not reported | onset |
| Nb0.25Mo0.75B2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 10.67 | Pressure not reported | onset |
| Nb0.25Mo0.75B2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 10.45 | Pressure not reported | onset |
| MoB2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 32 | 100 GPa | unknown |
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