Basic electronic properties of iron selenide under variation of structural parameters

Abstract

Since the discovery of high-temperature superconductivity in the thin-film FeSe/SrTiO${}_3$ system, iron selenide and its derivates have been intensively scrutinized. Using ab initio density functional theory calculations we review the electronic structures that could be realized in iron-selenide if the structural parameters could be tuned at liberty. We calculate the momentum-dependence of the susceptibility and investigate the symmetry of electron pairing within the random phase approximation. Both the susceptibility and the symmetry of electron pairing depend on the structural parameters in a nontrivial way. These results are consistent with the known experimental behavior of binary iron chalcogenides and, at the same time, reveal two promising new ways of tuning superconducting transition temperatures in these materials. On the one hand by expanding the iron lattice of FeSe at constant iron-selenium distance and, on the other hand, by increasing the iron-selenium distance with unchanged iron lattice.

References in corpus (40)

• Superconductivity in single-layer films of FeSe with a transition temperature above 100 K
• Superconductivity at 36 K in beta-Fe1.01Se with the compression of the interlayer separation under pressure
• Near-degeneracy of several pairing channels in multiorbital models for the Fe-pnictides
• Superconductivity at 27 K in tetragonal FeSe under high pressure
• 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
• 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
• Effect of magnetic frustration on nematicity and superconductivity in Fe chalcogenides
• Evolution of high-temperature superconductivity from low-Tc phase tuned by carrier concentration in FeSe thin flakes
• Theoretical evidence for strong correlations and incoherent metallic state in FeSe
• Nematicity and quantum paramagnetism in FeSe
• Functional Renormalization Group for multi-orbital Fermi Surface Instabilities
• Tight-binding models for the new iron based superconductor materials
• Coexistence of 3d-ferromagnetism and superconductivity in [(Li(1-x)Fex)OH](Fe(1-y)Liy)Se
• Magnetism, superconductivity, and spontaneous orbital order in iron-based superconductors: who comes first and why?
• Crystal orientation and thickness dependence of superconductivity on tetragonal FeSe1-x thin films
• Soft chemical control of superconductivity in lithium iron selenide hydroxides Li1-xFex(OH)Fe1-ySe
• Orbital-dependent Fermi Surface shrinking as a fingerprint of nematicity in FeSe
• Electronic nematic susceptibility of iron-based superconductors
• Suppression of orbital ordering by chemical pressure in FeSe1-xSx
• Suppression of superconductivity in FeSe films under tensile strain
• Nematicity and magnetism in FeSe and other families of Fe-based superconductors
• Pressure-induced antiferromagnetic transition and phase diagram in FeSe
• Phase diagram of (Li1-xFex)OHFeSe: a bridge between iron selenide and arsenide superconductors
• Formation of Hubbard-like bands as a fingerprint of strong electron-electron interactions in FeSe
• Synthesis and post-annealing effects of alkaline-metal-ethylenediamine-intercalated superconductors Ax(C2H8N2)yFe2-zSe2 (A = Li, Na) with Tc = 45 K
• Iron isotope effect on the superconducting transition temperature and the crystal structure of FeSe_1-x
• Unified picture of the doping dependence of superconducting transition temperatures in alkali metal/ammonia intercalated FeSe
• Unfolding of the electronic structure through the induced representations of space groups: Application to Fe-based superconductors
• Thin Film Growth and Device Fabrication of Iron-Based Superconductors
• Model of the Electronic Structure of Electron-Doped Iron-Based Superconductors: Evidence for Enhanced Spin Fluctuations by Diagonal Electron Hopping
• New Superconducting Phase of Li${}_x$(C${}_6$H${}_{16}$N${}_2$)${}_y$Fe${}_{2-z}$Se${}_2$ with $T_{\text{c}}$ = 41 K Obtained through the Post-Annealing
• Interplay of nematic and magnetic orders in FeSe under pressure
• Role of vertex corrections in the matrix formulation of the random phase approximation for the multiorbital Hubbard model
• Effect of electron correlations on the electronic structure and phase stability of FeSe upon lattice expansion
• Direct observation of dispersive lower Hubbard band in iron-based superconductor FeSe
• Neutron investigation of the magnetic scattering in an iron-based ferromagnetic superconductor
• Nodal superconductivity in FeS: Evidence from quasiparticle heat transport
• Strain effects in monolayer Iron-Chalcogenide superconductors

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• Topological quantum states of matter in iron-based superconductors: From concepts to material realization
• Gauge invariance of light-matter interactions in first-principle tight-binding models
• Correlation strength, Lifshitz transition and the emergence of a two- to three-dimensional crossover in FeSe under pressure
• Collapse of critical nematic fluctuations in FeSe under pressure
• Ab-initio investigation of lattice distortions in response to van der Waals interactions in FeSe
• $\mathrm{L}{\mathrm{i}}_{\mathrm{x}}({\mathrm{C}}_5{\mathrm{H}}_5\mathrm{N}{)}_{\mathrm{y}}\mathrm{F}{\mathrm{e}}_{2-\mathrm{z}}\mathrm{S}{\mathrm{e}}_2$: a defect resilient expanded-lattice high-temperature superconductor
• In-situ visualization of local distortions in the high-$T_c$ molecule-intercalated $L{i}_x(C_5{H}_{5}N{)}_{y}F{e}_{2-z}S{e}_2$ superconductor
• Symmetry-breaking-induced topology in FeSe
• Dual Enhancement of Superconductivity in FeSe/SrTiO3 via Orbital and Correlation Synergy
• Orbitally resolved superconductivity in real space: FeSe