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Minimal electronic models for superconducting BiS2 layers

Hidetomo Usui, Katsuhiro Suzuki, Kazuhiko Kuroki

DOI 10.1103/PhysRevB.86.220501 · Physical Review B

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Abstract

We construct minimal electronic models for a newly discovered superconductor LaO1−xFxBiS2 (Tc=10.6 K) possessing BiS2 layers based on a first-principles band calculation. First, we obtain a model consisting of two Bi 6p and two S 3p orbitals, which give nearly electron-hole symmetric bands. Further focusing on the bands that intersect the Fermi level, we obtain a model with two p orbitals. The two bands (per BiS2 layer) have a quasi-one-dimensional character with a double minimum dispersion, which gives good nesting of the Fermi surface. At around x∼0.5 the topology of the Fermi surface changes, so that the density of states at the Fermi level becomes large. Possible pairing states are discussed.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
Bi4O4S3

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

8.6Pressure not reportedunknown
LaO1-xFxBiS2

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

10.6Pressure not reportedunknown
NdO1-xFxBiS2

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

5.6Pressure not reportedunknown

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