Effects of stoichiometric doping in superconducting Bi-O-S compounds

Abstract

Newly discovered Bi-O-S compounds remain an enigma in attempts to understand their electronic properties. A recent study of Bi${}_4$O${}_4$S${}_3$ has shown it to be a mixture of two phases, Bi${}_2$OS${}_2$ and Bi${}_3$O${}_2$S${}_3$, the latter being superconducting [W. A. Phelan et al., J. Am. Chem. Soc. 135, 5372 (2013)]. Using density functional theory, we explore the electronic structure of both the phases and the effect of the introduction of stacking faults. Our results demonstrate that the S${}_2$ layers dope the bismuth-sulphur bands. The bands at the Fermi level are of clear two-dimensional character. One band manifold is confined to the two adjacent, square-lattice bismuth-sulphur planes, a second manifold is confined to the square lattice of sulphur dimers. We show that the introduction of defects in the stacking does not influence the electronic structure. Finally, we also show that spin-orbit coupling does not have any significant effect on the states close to the Fermi level at the energy scale considered.

References in corpus (16)

• Superconductivity Appears in the Vicinity of an Insulating-Like Behavior in CeO${}_{1-x}$F${}_x$BiS${}_2$
• Minimal electronic models for superconducting BiS${}_2$ layers
• Superconductivity of F-substituted LnOBiS2 (Ln = La, Ce, Pr, Nd, Yb) compounds
• Ferroelectric Soft Phonons, Charge Density Wave Instability and Strong Electron-Phonon Coupling in BiS2-Layered Superconductors
• Superconductivity induced by La doping in Sr1-xLaxFBiS2 system
• Pressure Study of BiS2-Based Superconductors Bi4O4S3 and La(O,F)BiS2
• Evolution of superconductivity in LaO1-xFxBiS2 prepared by high pressure technique
• Pairing with dominant triplet component and possible weak topological superconductivity in BiS${}_2$-based superconductors
• RPA Analysis of a Two-orbital Model for the BiS2-based Superconductors
• Superconducting and thermoelectric properties of new layered Superconductor Bi4O4S3
• Low superfluid density and possible multi-gap superconductivity in BiS2-based layered superconductor Bi4O4S3
• Bulk superconductivity in Bi4O4S3 revealed by specific heat measurement
• Hydrostatic pressure effect on Tc of new BiS2 based Bi4O4S3 and NdO0.5F0.5BiS2 layered superconductors
• Bulk superconductivity in single phase Bi3O2S3
• Effect of Se doping in recently discovered layered Bi4O4S3 Superconductor
• Testing the $d_{x^2-y^2}^{\ast }$-wave pairing symmetry by quasiparticle interference in BiS${}_2$-based superconductors

Cited by in corpus (5)

• Material Development and Physical Properties of BiS2-Based Layered Compounds
• Weak phonon-mediated pairing in BiS${}_2$ superconductor from first principles
• Electronic and magnetic properties of superconducting LnO${}_{1-x}$F${}_x$BiS${}_2$ (Ln = La, Ce, Pr, and Nd) from first principles
• Unconventional isotope effect on transition temperature in BiS2-based superconductor Bi4O4S3
• Chemical Substitution and High Pressure Effects on Superconductors in the $Ln$OBiS${}_2$ ($Ln$ = La-Nd) System