Electronic structure of FeSe monolayer superconductors

Abstract

We review a variety of theoretical and experimental results concerning electronic band structure of superconducting materials based on FeSe monolayers. Three type of systems are analyzed: intercalated FeSe systems A_xFe_2Se_{2-x}S_x and [Li_{1-x}Fe_xOH]FeSe as well as the single FeSe layer films on SrTiO_3 substrate. We present the results of detailed first principle electronic band structure calculations for these systems together with comparison with some experimental ARPES data. The electronic structure of these systems is rather different from that of typical FeAs superconductors, which is quite significant for possible microscopic mechanism of superconductivity. This is reflected in the absence of hole pockets of the Fermi surface at Γ-point in Brillouin zone, so that there are no "nesting" properties of different Fermi surface pockets. LDA+DMFT calculations show that correlation effects on Fe-3d states in the single FeSe layer are not that strong as in most of FeAs systems. As a result, at present there is no theoretical understanding of the formation of rather "shallow" electronic bands at M points. LDA calculations show that the main difference in electronic structure of FeSe monolayer on SrTiO_3 substrate from isolated FeSe layer is the presence of the band of O-2p surface states of TiO_2 layer on the Fermi level together with Fe-3d states, which may be important for understanding the enhanced T_c values in this system. We briefly discuss the implications of our results for microscopic models of superconductivity.

21 pages, 13 figures, minor typos corrected

References in corpus (39)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• The Puzzle of High Temperature Superconductivity in Layered Iron Pnictides and Chalcogenides
• Superconductivity in Iron Compounds
• Interface induced high temperature superconductivity in single unit-cell FeSe films on SrTiO3
• Superconductivity in single-layer films of FeSe with a transition temperature above 100 K
• Gap symmetry and structure of Fe-based superconductors
• Density functional study of FeS, FeSe and FeTe: Electronic structure, magnetism, phonons and superconductivity
• Interfacial mode coupling as the origin of the enhancement of Tc in FeSe films on SrTiO3
• To What Extent Iron-Pnictide New Superconductors Have Been Clarified: A Progress Report
• Electronic Origin of High Temperature Superconductivity in Single-Layer FeSe Superconductor
• Enhancement of superconducting transition temperature of FeSe by intercalation of a molecular spacer layer
• Structure determination and coexistence of superconductivity and antiferromagnetic order in (Li0.8Fe0.2)OHFeSe
• A review of Fe-chalcogenide superconductors: the simplest Fe-based superconductor
• Critical role of substrate in the high temperature superconductivity of single layer FeSe on Nb:BaTiO${}_3$
• High - Temperature Superconductivity in Iron Based Layered Compounds
• Iron based superconductors: magnetism, superconductivity and electronic structure
• Observation of Temperature-Induced Crossover to an Orbital-Selective Mott Phase in A${}_x$Fe${}_{2-y}$Se${}_2$ (A=K, Rb) Superconductors
• Common Electronic Origin of Superconductivity in (Li,Fe)OHFeSe Bulk Superconductor and Single-Layer FeSe/SrTiO3 Films
• Coexistence of 3d-ferromagnetism and superconductivity in [(Li(1-x)Fex)OH](Fe(1-y)Liy)Se
• Electronic Structure and Superconductivity of FeSe-Related Superconductors
• Surface electronic structure and isotropic superconducting gap in (Li${}_{0.8}$Fe${}_{0.2}$)OHFeSe
• Electronic and magnetic phase diagram in K${}_x$Fe${}_{2-y}$Se${}_2$ superconductors
• Electronic Structure of Prototype AFe_2As_2 and ReOFeAs High-Temperature Superconductors: a Comparison
• New Li-Ethylenediamine-Intercalated Superconductor Li${}_x$(C${}_2$H${}_8$N${}_2$)${}_y$Fe${}_{2-z}$Se${}_2$ with $T_c$ = 45 K
• Classification of the electronic correlation strength in the Fe-pnictides: The case of the parent compound BaFe2As2
• Phase Diagram of KxFe2-ySe2-zSz and the Suppression of its Superconducting State by an Fe2-Se/S Tetrahedron Distortion
• Common Fermi Surface Topology and Nodeless Superconducting Gap in K0.68Fe1.79Se2 and (Tl0.45K0.34)Fe1.84Se2 Superconductors Revealed from Angle-Resolved Photoemission Spectroscopy
• Electronic structure and Fermi surface of new K intercalated iron selenide superconductor KxFe2Se2
• Electronic Structure, Topological Phase Transitions and Superconductivity in (K,Cs)xFe2Se2
• Iron Based Superconductors: Pnictides versus Chalcogenides
• On peculiarities of superconductivity in the single-layer FeSe/SrTiO3 interfa
• Consistent LDA'+DMFT -- an unambiguous way to avoid double counting problem: NiO test
• Consistent LDA'+DMFT approach to electronic structure of transition metal oxides: charge transfer insulators and correlated metals
• Identification of prototypical Brinkman-Rice Mott physics in a class of iron chalcogenides superconductors
• Electronic structure of NaFeAs superconductor: LDA+DMFT calculations compared with ARPES experiment
• Electronic structure of iron-based superconductors: from pnictides to chalcogenides and other similar systems
• LDA'+DMFT Investigation of Electronic Structure of K{1-x}Fe{2-y}Se2 Superconductor
• Electron gas induced in SrTiO${}_3$
• Doping Dependence of Correlation Effects in K{1-x}Fe{2-y}Se2 Superconductor: LDA'+DMFT Investigation

Cited by in corpus (11)

• How correlated is the FeSe/SrTiO${}_3$ system ?
• Metamorphoses of electronic structure of FeSe-based superconductors (Review article)
• Electronic structure of FeSe monolayer superconductors: shallow bands and correlations
• On the origin of the shallow and "replica" bands in FeSe monolayer superconductors
• Possible spin excitation structure in monolayer FeSe grown on SrTiO${}_3$
• Model Hamiltonian for Altermagnetic Topological Insulators
• Strong enhancement of magnetic order from bulk to stretched monolayer FeSe as Hund's metals
• Fluctuating Cooper pairs in FeSe at temperatures exceeding double Tc
• Quantitative comparison of LDA+DMFT and ARPES spectral functions
• Hidden Fermi surface in K${}_x$Fe${}_{2-y}$Se${}_2$: LDA+DMFT study
• Band structure of organic-ion-intercalated (EMIM)${}_x$FeSe superconductor