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Correlations among superconductivity, structural instability, and band filling in Nb1−xB2 at the critical point x≈0.2

R. J. Xiao, K. Q. Li, H. X. Yang, G. C. Che, H. R. Zhang, C. Ma, Z. X. Zhao, J. Q. Li

DOI 10.1103/PhysRevB.73.224516 · Physical Review B

T1

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Abstract

We performed an extensive investigation on the correlations among superconductivity, structural instability, and band filling in Nb1−xB2 materials. Structural measurements reveal that a notable phase transformation occurs at x≈0.2, corresponding to the Fermi level (EF) in the pseudogap with the minimum total density of states (DOS) as demonstrated by the first-principles calculations. Superconductivity in Nb1−xB2 generally becomes visible in the Nb-deficient materials with x⩾0.2. Electron energy-loss spectroscopy (EELS) measurements on B K edge directly demonstrated the presence of a chemical shift arising from the structural transformation. Our systematical experimental results in combination with theoretical analysis suggest that the emergence of hole states in the σ bands plays an important role for understanding the superconductivity and structural transition in Nb1−xB2.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
MgB2

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39Pressure not reportedunknown
NbB2.5

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—Pressure not reportedunknown
Nb1-xB2

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86 GPaonset
Nb0.7B2

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8.16 GPaonset

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