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Electronic structure of the superconducting oxide spinel LiTi2O4

Sashi Satpathy, Richard M. Martin

DOI 10.1103/PhysRevB.36.7269 · Physical Review B

T1

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Abstract

We examine the electronic band structure of LiTi2O4 in the cubic spinel structure by performing a local-density calculation using the linear muffin-tin orbitals method. The Fermi energy lies in the Ti 3d bands with only one-half of an electron per Ti atom occupying this band. The next-lower O 2p bands occur about 2.4 eV below the Ti 3d bands in good agreement with the photo-electron spectra. However, enhanced specific heat and differences with photoemission spectra near Ef suggest effects beyond the band results. If the specific-heat enhancement is assumed to arise from phonons, we find λ∼1.8 indicating a strong electron-phonon coupling. The nature of electron states is also consistent with the possibility of resonating-valence-bond superconductivity.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
LiTi2O4

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

12.4Pressure not reportedunknown
CuRh2S4

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

4.8Pressure not reportedunknown
CuV2S4

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

4.5Pressure not reportedunknown
CuRh2Se4

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

3.5Pressure not reportedunknown

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