Proposal for a bulk material based on a monolayer FeSe on SrTiO3 high-temperature superconductor

Abstract

Motivated by the high superconducting transition temperature of monolayer FeSe on SrTiO3, we propose a potential three-dimensional high-temperature superconductor superlattice FeSe-SrTiO3 and study its structural stability and electronic structure using density functional theory. We find that the binding energy between the FeSe and SrTiO3 layers is about 0.7 eV per (Fe2Se2) unit and that it saturates already within a single TiO2 atomic layer of SrTiO3. In addition we analyzed the dynamical stability of the superlattice and compared it to the case of bulk SrTiO3.

References in corpus (29)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• A Higher-Accuracy van der Waals Density Functional
• Pseudopotentials for high-throughput DFT calculations
• Interface induced high temperature superconductivity in single unit-cell FeSe films on SrTiO3
• Superconductivity at 36 K in beta-Fe1.01Se with the compression of the interlayer separation under pressure
• 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
• Is LaO${}_{1-x}$F${}_x$FeAs an electron-phonon superconductor ?
• Pressure evolution of low-temperature crystal structure and bonding of 37 K $T_c$ FeSe superconductor
• 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)
• Structure determination and coexistence of superconductivity and antiferromagnetic order in (Li0.8Fe0.2)OHFeSe
• Effect of quantum fluctuations on structural phase transitions in SrTiO_3 and BaTiO_3
• Critical role of substrate in the high temperature superconductivity of single layer FeSe on Nb:BaTiO${}_3$
• Tailoring the nature and strength of electron-phonon interactions in the SrTiO${}_3$(001) two-dimensional electron liquid
• Common Electronic Origin of Superconductivity in (Li,Fe)OHFeSe Bulk Superconductor and Single-Layer FeSe/SrTiO3 Films
• Anomalous correlation effects and unique phase diagram of electron doped FeSe revealed by angle resolved photoemission spectroscopy
• First-principles study of ferroelectric and antiferrodistortive instabilities in tetragonal SrTiO3
• Enhanced superconductivity and evidence for novel pairing in single-layer FeSe on SrTiO3 thin film under large tensile strain
• Effects of magnetism and doping on the electron-phonon coupling in BaFe${}_2$As${}_2$
• Origin of the large phonon band-gap in SrTiO3 and the vibrational signatures of ferroelectricity in ATiO3 perovskite: First principles lattice dynamics and inelastic neutron scattering of PbTiO3, BaTiO3 and SrTiO3
• Onset of the Meissner effect at 65 K in FeSe thin film grown on Nb doped SrTiO3 substrate
• What makes the Tc of monolayer FeSe on SrTiO3 so high: a sign-problem-free quantum Monte Carlo study
• Strong Pressure Dependent Electron-Phonon Coupling in FeSe
• Large electron-phonon interactions from FeSe phonons in a monolayer
• Atomic and electronic structures of FeSe monolayer and bilayer thin films on SrTiO${}_3$ (001): a first-principles study
• Interface enhanced electron-phonon coupling and high temperature superconductivity in potassium-coated ultra-thin FeSe films on SrTiO3

Cited by in corpus (8)

• Quantum-Matter Heterostructures
• Interface high-temperature superconductivity
• Correlation of Fe-based Superconductivity and Electron-Phonon Coupling in an FeAs/Oxide Heterostructure
• Enhanced superconductivity in FeSe/SrTiO${}_3$ from the combination of forward scattering phonons and spin fluctuations
• Electronic properties of the FeSe/STO interface from first-principle calculations
• Experimentally constrained multidimensional simulation of laser-generated plasmas and its application to UV nanosecond ablation of Se and Te
• Fabrication of oxide/FeSe multilayer films using the PLD technique
• Superconductivity in the bilayer Hubbard model: Are two Fermi surfaces better than one?