The interfacial effects on the spin density wave in FeSe/SrTiO3 thin film

Abstract

Recently, the signs of both superconducting transition temperature (Tc) beyond 60 K and spin density wave (SDW) have been observed in FeSe thin film on SrTiO3 (STO) substrate, which suggests a strong interplay between superconductivity and magnetism. With the first-principles calculations, we find that the substrate-induced tensile strain tends to stabilize the SDW state in FeSe thin film by enhancing of the next-nearest-neighbor superexchange antiferromagnetic interaction bridged through Se atoms. On the other hand, we find that when there are oxygen vacancies in the substrate, the significant charge transfer from the substrate to the first FeSe layer would suppress the magnetic order there, and thus the high-temperature superconductivity could occur. In addition, the stability of the SDW is lowered when FeSe is on a defect-free STO substrate due to the redistribution of charges among the Fe 3d-orbitals. Our results provide a comprehensive microscopic explanation for the recent experimental findings, and build a foundation for the further exploration of the superconductivity and magnetism in this novel superconducting interface.

18 pages, 9 figures

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• Onset of the Meissner effect at 65 K in FeSe thin film grown on Nb doped SrTiO3 substrate
• Electron pairing in the presence of incipient bands in iron-based superconductors
• Electronic Evidence of an Insulator-Superconductor Transition in Single-Layer FeSe/SrTiO3 Films
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• First-principles study of magnetic frustration in FeSe epitaxial films on SrTiO${}_3$
• Quantum Unfolding: A program for unfolding electronic energy bands of materials
• Intrinsic interfacial van der Waals monolayers and their effect on the high-temperature superconductor FeSe/SrTiO${}_3$
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• Ab-initio Studies of (Li${}_{0.8}$Fe${}_{0.2}$)OHFeSe Superconductors: Revealing the Dual Roles of Fe${}_{0.2}$ in Structural Stability and Charge Transfer
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• Electronic structure and signature of Tomonaga-Luttinger liquid state in epitaxial CoSb${}_{1-x}$ nanoribbons
• Magnetic neutron scattering studies on the Fe-based superconductor system Fe${}_{1+y}$Te${}_{1-x}$Se${}_x$
• Possible spin excitation structure in monolayer FeSe grown on SrTiO${}_3$
• First-principles study of FeSe epitaxial films on SrTiO3
• Strong enhancement of magnetic order from bulk to stretched monolayer FeSe as Hund's metals
• Spin-Dependent High-Order Topological Insulator and Two Types of Distinct Corner Modes in Monolayer FeSe/GdClO Heterostructure
• Molecular Beam Epitaxy Growth of Tetragonal FeS Film on SrTiO3(001) Substrate
• Resonance states near a quantum magnetic impurity in single-layer FeSe superconductors with $d$-wave symmetry
• Staggered FeSe Monolayer on SrTiO${}_3$ (110) surface
• LaO as a candidate substrate for realizing superconductivity in FeSe epitaxial film
• Origin of the Electronic Structure in Single-Layer FeSe/SrTiO3 Films
• Stripe Antiferromagnetic Ground-State Configuration of FeSe Revealed by Density Functional Theory
• Unconventional incommensurate epitaxy of superconducting FeSe films on SrTiO${}_3$