LaO as a candidate substrate for realizing superconductivity in FeSe epitaxial film

Abstract

The significantly enhanced superconducting transition temperature ($T_c$) of an FeSe monolayer on SrTiO${}_3$(001) substrate has attracted extensive attention in recent years. Here, based on first-principles electronic structure calculations, we propose another candidate substrate LaO(001) for the epitaxial growth of FeSe monolayer to realize superconductivity. Our calculations show that for the optimal adsorption structure of FeSe monolayer on LaO(001), the stripe antiferromagnetic state and the dimer antiferromagnetic state are almost energetically degenerate, indicating the existence of strong magnetic fluctuation that is beneficial to the appearance of superconductivity. According to the Bader charge analysis, the calculated electron doping from the LaO substrate to the FeSe monolayer is about 0.18 electrons per Fe atom, even larger than that in case of FeSe/SrTiO${}_3$(001). Since LaO was also reported to be a superconductor with $T_c$ ~ 5 K, it may have a superconducting proximity effect on the epitaxial FeSe film and vice versa. These results suggest that LaO would be an interesting substrate to study the interface-related superconductivity.

arXiv comment7 pages, 6 figures, 1 table

References in corpus (58)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Phonons and related properties of extended systems from density-functional perturbation theory
• Superconductivity at 38 K in the iron arsenide (Ba1-xKx)Fe2As2
• Superconductivity at 43 K in Samarium-arsenide Oxides $SmFeAs{O}_{1-x}{F}_x$
• 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
• The superconductivity at 18 K in LiFeAs system
• Phase Diagram and High Temperature Superconductivity at 65 K in Tuning Carrier Concentration of Single-Layer FeSe Films
• Superconductivity at 27 K in tetragonal FeSe under high pressure
• Interfacial mode coupling as the origin of the enhancement of Tc in FeSe films on SrTiO3
• Interface-induced superconductivity and strain-dependent spin density wave in FeSe/SrTiO3 thin films
• Electronic Origin of High Temperature Superconductivity in Single-Layer FeSe Superconductor
• Heavily electron-doped electronic structure and isotropic superconducting gap in AxFe2Se2 (A=K,Cs)
• Why Does Undoped FeSe Become A High Tc Superconductor Under Pressure?
• Bi-collinear antiferromagnetic order in the tetragonal $\alpha$-FeTe
• Direct observation of high temperature superconductivity in one-unit-cell FeSe films
• Evolution of high-temperature superconductivity from low-Tc phase tuned by carrier concentration in FeSe thin flakes
• Phonon-enhanced superconductivity at the FeSe/SrTiO3 interface
• Critical role of substrate in the high temperature superconductivity of single layer FeSe on Nb:BaTiO${}_3$
• Antiferromagnetic superexchange interactions in LaOFeAs
• Distinct Fermi Surface Topology and Nodeless Superconducting Gap in (Tl0.58Rb0.42)Fe1.72Se2 Superconductor
• Common Electronic Origin of Superconductivity in (Li,Fe)OHFeSe Bulk Superconductor and Single-Layer FeSe/SrTiO3 Films
• Monolayer FeSe on SrTiO${}_3$
• Anomalous correlation effects and unique phase diagram of electron doped FeSe revealed by angle resolved photoemission spectroscopy
• Coexistence of Superconductivity and Magnetism in FeSe_1-x under Pressure
• Enhanced superconductivity and evidence for novel pairing in single-layer FeSe on SrTiO3 thin film under large tensile strain
• Universal Substrate Effect on the Superconductivity of FeSe Monolayer Films
• High-temperature superconductivity in single-unit-cell FeSe films on anatase TiO2(001)
• What makes the Tc of monolayer FeSe on SrTiO3 so high: a sign-problem-free quantum Monte Carlo study
• Onset of the Meissner effect at 65 K in FeSe thin film grown on Nb doped SrTiO3 substrate
• The Role of SrTiO3 Phonon Penetrating into thin FeSe Films in the Enhancement of Superconductivity
• Superconducting properties of sulfur-doped iron selenide
• Atomic and electronic structures of FeSe monolayer and bilayer thin films on SrTiO${}_3$ (001): a first-principles study
• Large electron-phonon interactions from FeSe phonons in a monolayer
• Dynamic interfacial polaron enhanced superconductivity of FeSe/SrTiO3
• Topological Phases in the Single-Layer FeSe
• High Tc via spin fluctuations from incipient bands: application to monolayers and intercalates of FeSe
• Interface high-temperature superconductivity
• The interfacial effects on the spin density wave in FeSe/SrTiO3 thin film
• Effects of charge doping and constrained magnetization on the electronic structure of an FeSe monolayer
• Superconductivity in FeSe thin films driven by the interplay between nematic fluctuations and spin-orbit coupling
• How correlated is the FeSe/SrTiO${}_3$ system ?
• Fermiology, Orbital Order, Orbital Fluctuation and Cooper Pairing in Iron-based Superconductors
• Gate-tuned Superconductor-Insulator transition in (Li,Fe)OHFeSe
• Model of the Electronic Structure of Electron-Doped Iron-Based Superconductors: Evidence for Enhanced Spin Fluctuations by Diagonal Electron Hopping
• Antiferromagnetic order in epitaxial FeSe films on SrTiO3
• Ab initio Study of Cross-Interface Electron-Phonon Couplings in FeSe Thin Films on SrTiO${}_3$ and BaTiO${}_3$
• Do Se vacancies electron dope monolayer FeSe?
• Structural, Magnetic and Electronic Properties of the Iron-Chalcogenide A${}_x$Fe${}_{2-y}$Se${}_2$ (A=K, Cs, Rb, Tl and etc.) Superconductors
• Nematic antiferromagnetic states in bulk FeSe
• The influence of spin-phonon coupling on antiferromagnetic spin fluctuations in FeSe under pressure: the First-principles calculations with van der Waals corrections
• Magnetic fluctuations and spin-spirals in single-layer FeSe
• First-principles study of magnetic frustration in FeSe epitaxial films on SrTiO${}_3$
• Quantum Unfolding: A program for unfolding electronic energy bands of materials
• Temperature-induced band selective localization and coherent-incoherent crossover in single-layer FeSe/Nb:BaTiO3 /KTaO3
• Electronic and phononic properties of a two dimensional electron gas coupled to dipolar phonons via small-momentum-transfer scattering
• First-principles theory of electron-spin fluctuation coupling and superconducting instabilities in iron selenide
• First-principles study of FeSe epitaxial films on SrTiO3

Cited by in corpus (1)

• First-principles study of the superconductivity in LaO