Do Se vacancies electron dope monolayer FeSe?

Abstract

Following the discovery of the potentially very high temperature superconductivity in monolayer FeSe we investigate the doping effect of Se vacancies in these materials. We find that Se vacancies pull a vacancy centered orbital below the Fermi energy that absorbs most of the doped electrons. Furthermore we find that the disorder induced broadening causes an effective hole doping. The surprising net result is that in terms of the band structure Se vacancies behave like hole dopants rather than electron dopants. Our results exclude Se vacancies as the origin of the large electron pockets measured by angle resolved photoemission spectroscopy.

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• Monolayer FeSe on SrTiO${}_3$
• Using Gap Symmetry and Structure to Reveal the Pairing Mechanism in Fe-based Superconductors
• Electronic Structure and Superconductivity of FeSe-Related Superconductors
• On the Remarkable Superconductivity of FeSe and its Close Cousins
• Origin of charge transfer and enhanced electron-phonon coupling in single unit-cell FeSe films on SrTiO3
• Unfolding the band structure of disordered solids: from bound states to high-mobility Kane fermions
• Dichotomy of Electronic Structure and Superconductivity between Single-Layer and Double-Layer FeSe/SrTiO3 Films
• Atomically Resolved FeSe/SrTiO3(001) Interface Structure by Scanning Transmission Electron Microscopy
• Ab initio downfolding study of the iron-based ladder superconductor BaFe${}_2$S${}_3$
• Systematic Quantum Cluster Typical Medium Method For the Study of Localization in Strongly Disordered Electronic Systems
• First-principles study of magnetic frustration in FeSe epitaxial films on SrTiO${}_3$
• Band structure and charge doping effects of potassium-adsorbed FeSe/SrTiO3 system
• Tunable Fe-vacancy disorder-order transition in FeSe thin films
• Effect of realistic out-of-plane dopant potentials on the superfluid density of overdoped cuprates
• Effects of interface oxygen vacancies on electronic bands of FeSe/SrTiO3(001)
• On the Nature of Localization in Ti doped Si
• Unfolding the electronic structure of Ca${}_{10}$(Fe${}_{1-x}$Pt${}_x$As)${}_{10}$(Pt${}_n$As${}_8$)
• Stoichiometry and defect superstructures in epitaxial FeSe films on SrTiO3
• First-principles study of FeSe epitaxial films on SrTiO3
• Imaging Se diffusion across the FeSe/SrTiO${}_3$ interface
• Modulation doping of the FeSe monolayer on SrTiO${}_3$
• Staggered FeSe Monolayer on SrTiO${}_3$ (110) surface
• Atomic-scale analysis of disorder by similarity learning from tunneling spectroscopy
• Temperature dependence and limiting mechanisms of the upper critical field of FeSe thin films
• LaO as a candidate substrate for realizing superconductivity in FeSe epitaxial film
• Nanoscale Modulation of Flat Bands via Controllable Charge-Density-Waves Defects in 4Hb-TaS2
• Origin of the Electronic Structure in Single-Layer FeSe/SrTiO3 Films