Possible Superconductivity in Fe-Sb Based Materials: Density Functional Study of LiFeSb

Abstract

We investigate the electronic and other properties of the hypothetical compound LiFeSb in relation to superconducting LiFeAs and FeSe using density functional calculations. The results show that LiFeSb in the LiFeAs structure would be dynamically stable in the sense of having no unstable phonon modes, and would have very similar electronic and magnetic properties to the layered Fe based superconductors. Importantly, a very similar structure for the Fermi surface and a spin density wave related to but stronger than that in the corresponding As compound is found. These results are indicative of possible superconductivity analogous to the Fe-As based compounds if the spin density wave can be suppressed by doping or other means. Prospects for synthesizing this material in pure form or in solid solution with FeTe are discussed.

Additional discussion about superconductivity in the Fe materials in relation to chi(q) and experimental observations

References in corpus (17)

• Superconductivity at 38 K in the iron arsenide (Ba1-xKx)Fe2As2
• Magnetic Order versus superconductivity in the Iron-based layered La(O1-xFx)FeAs systems
• Unconventional pairing originating from disconnected Fermi surfaces in superconducting LaFeAsO${}_{1-x}$F${}_x$}
• LaFeAsO${}_{1-x}$F${}_x$: A low carrier density superconductor near itinerant magnetism
• Superconductivity at 41 K and its competition with spin-density-wave instability in layered CeO${}_{1-x}$F${}_x$FeAs
• Spin density wave anomaly at 140 K in the ternary iron arsenide BaFe2As2
• Density functional study of FeS, FeSe and FeTe: Electronic structure, magnetism, phonons and superconductivity
• LiFeAs: An Intrinsic FeAs-based Superconductor with Tc = 18K
• Superconductivity at 27 K in tetragonal FeSe under high pressure
• Competing Orders and Spin-Density-Wave Instability in La(O${}_{1-x}$F${}_x$)FeAs
• Thorium-doping induced superconductivity up to 56 K in Gd1-xThxFeAsO
• Superconductivity at 25 K in hole doped $(L{a}_{1-x}S{r}_x)OFeAs$
• Origin of the ~150 K Anomaly in LaOFeAs; Competing Antiferromagnetic Superexchange Interactions, Frustration, and Structural Phase Transition
• Electronic Structure and Doping in BaFe${}_2$As${}_2$ and LiFeAs: Density Functional Calculations
• Commensurate Spin Density Wave in LaOFeAs: A Local Probe Study
• Iron-based layered superconductor LaO${}_{1-x}$F${}_x$FeAs: an antiferromagnetic semimetal
• Intrinsic Properties of Stoichiometric LaOFeP