DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Vertex dominated superconductivity in intercalated FeSe

Journal Article · · npj Quantum Materials

Bulk FeSe becomes superconducting below 9 K, but the critical temperature (Tc) is enhanced almost universally by a factor of ~4–5 when it is intercalated with alkali elements. How intercalation modifies the structure is known from in-situ X-ray and neutron scattering techniques, but why Tc changes so dramatically is not known. Here we show that there is one-to-one correspondence between the enhancement in magnetic instabilities at certain q vectors and superconducting pairing vertex, even while the nuclear spin relaxation rate 1/(T1T) may not reflect this enhancement. Intercalation modifies electronic screening both in the plane and also between layers. We disentangle quantitatively how superconducting pairing vertex gains from each such changes in electronic screening. Intercalated FeSe provides an archetypal example of superconductivity where information derived from the single-particle electronic structure appears to be insufficient to account for the origins of superconductivity, even when they are computed including correlation effects. We show that the five-fold enhancement in Tc on intercalation is not sensitive to the exact position of the dxy at Γ point, as long as it stays close to EF. Finally, we show that intercalation also significantly softens the collective charge excitations, suggesting the electron-phonon interaction could play some role in intercalated FeSe.

Research Organization:
National Renewable Energy Laboratory (NREL), Golden, CO (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); SURF Cooperative; USDOE Office of Energy Efficiency and Renewable Energy (EERE)
Grant/Contract Number:
AC36-08GO28308; AC02-05CH11231
OSTI ID:
1985613
Report Number(s):
NREL/JA-5F00-84151; {UUID:a2b4e223-17f6-4008-b3d3-929ed527fc62,MainId:84924,MainAdminID:69715,"Journal ID: ISSN 2397-4648"}
Journal Information:
npj Quantum Materials, Journal Name: npj Quantum Materials Journal Issue: 1 Vol. 8; ISSN 2397-4648
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English

References (97)

Strong pressure-dependent electron-phonon coupling in FeSe journal June 2014
Effect of electron correlations on the electronic structure and phase stability of FeSe upon lattice expansion journal July 2017
Evening out the spin and charge parity to increase $${T}_{c}$$Tc in $${{\rm{Sr}}}_{2}{{\rm{RuO}}}_{4}$$Sr2RuO4 journal December 2019
Strongly Enhanced Superconductivity Due to Finite Energy Spin Fluctuations Induced by an Incipient Band: A FLEX Study on the Bilayer Hubbard Model with Vertical and Diagonal Interlayer Hoppings journal April 2020
Synthesis and post-annealing effects of alkaline-metal-ethylenediamine-intercalated superconductors A(C2H8N2) Fe2−Se2 (A= Li, Na) with Tc= 45 K journal September 2014
Formation of Hubbard-like bands as a fingerprint of strong electron-electron interactions in FeSe journal February 2017
Consistency of potential energy in the dynamical vertex approximation journal November 2022
How Correlated is the FeSe / SrTiO 3 System? journal August 2017
Se 77 NMR Study of the Pairing Symmetry and the Spin Dynamics in K y Fe 2 − x Se 2 journal May 2011
High T c via Spin Fluctuations from Incipient Bands: Application to Monolayers and Intercalates of FeSe journal August 2016
Effective Coulomb interaction in transition metals from constrained random-phase approximation journal March 2011
Tuning across the BCS-BEC crossover in the multiband superconductor Fe 1+ y Se x Te 1− x : An angle-resolved photoemission study journal April 2017
Intercalation In Layered Materials journal May 1987
Normal-state correlated electronic structure of tetragonal FeSe superconductor journal March 2014
Hyper-expanded interlayer separations in superconducting barium intercalates of FeSe journal January 2015
Anomalies in properties of metals and alloys due to electron correlations journal May 1985
A rational design of cosolvent exfoliation of layered materials by directly probing liquid–solid interaction journal July 2013
Superconductivity at 27K in tetragonal FeSe under high pressure journal October 2008
Ab initio procedure for constructing effective models of correlated materials with entangled band structure journal October 2009
Electric-field-induced superconductivity in electrochemically etched ultrathin FeSe films on SrTiO3 and MgO journal November 2015
Exfoliation of layered materials using electrochemistry journal January 2018
Effect of Structural Parameters on Superconductivity in Fluorine-Free LnFeAsO 1- y (Ln = La, Nd) journal August 2008
Coherence–incoherence crossover in the normal state of iron oxypnictides and importance of Hund's rule coupling journal February 2009
Spin dynamics and orbital-antiphase pairing symmetry in iron-based superconductors journal October 2014
Critical current and flux dynamics in Ag-doped FeSe superconductor journal December 2016
Magnetic Resonant Mode in the Low-Energy Spin-Excitation Spectrum of Superconducting Rb 2 Fe 4 Se 5 Single Crystals journal October 2011
Superconductivity near 70 K in a new family of layered copper oxides journal November 1988
Electronic Origin of Tc in Bulk and Monolayer FeSe journal January 2021
Imaging orbital-selective quasiparticles in the Hund’s metal state of FeSe journal September 2018
Tetragonal-to-Orthorhombic Structural Phase Transition at 90 K in the Superconductor Fe 1.01 Se journal July 2009
Coexistence of superconductivity and antiferromagnetism in (Li0.8Fe0.2)OHFeSe journal December 2014
Questaal: A package of electronic structure methods based on the linear muffin-tin orbital technique dataset January 2020
Continuous-Time Solver for Quantum Impurity Models journal August 2006
Electronic and magnetic phase diagram of β-Fe1.01Se with superconductivity at 36.7 K under pressure journal June 2009
Revealing the dual nature of magnetism in iron pnictides and iron chalcogenides using x-ray emission spectroscopy journal September 2011
Iron-based superconductors: Current status of materials and pairing mechanism journal July 2015
Anomalies of electronic and lattice properties of metals and alloys, caused by screening anomalies journal April 1990
Nodeless superconducting gap in AxFe2Se2 (A=K,Cs) revealed by angle-resolved photoemission spectroscopy journal February 2011
Wide applicability of high- T c pairing originating from coexisting wide and incipient narrow bands in quasi-one-dimensional systems journal January 2018
High-temperature superconductivity in potassium-coated multilayer FeSe thin films journal June 2015
Enhancement of the superconducting transition temperature of FeSe by intercalation of a molecular spacer layer journal October 2012
Quasiparticle self-consistent G W method: A basis for the independent-particle approximation journal October 2007
Electronic anisotropies revealed by detwinned angle-resolved photo-emission spectroscopy measurements of FeSe journal October 2017
Evolution of High-Temperature Superconductivity from a Low- T c Phase Tuned by Carrier Concentration in FeSe Thin Flakes journal February 2016
Two-Dimensional Nanosheets Produced by Liquid Exfoliation of Layered Materials journal February 2011
Evidence for unidirectional nematic bond ordering in FeSe journal November 2016
Disappearance of static magnetic order and evolution of spin fluctuations in Fe 1 + δ Se x Te 1 − x journal September 2010
Suppression of superconductivity and enhanced critical field anisotropy in thin flakes of FeSe dataset January 2020
Quantum Monte Carlo impurity solver for cluster dynamical mean-field theory and electronic structure calculations with adjustable cluster base journal April 2007
Pressure-induced phonon softening and electronic topological transition inHgBa2CuO4 journal July 1996
Theory of Superconductivity journal December 1957
Why Does Undoped FeSe Become a High- T c Superconductor under Pressure? journal April 2009
Liquid Exfoliation of Layered Materials journal June 2013
Reciprocal-space structure and dispersion of the magnetic resonant mode in the superconducting phase of Rb x Fe 2 − y Se 2 single crystals journal April 2012
Common electronic origin of superconductivity in (Li,Fe)OHFeSe bulk superconductor and single-layer FeSe/SrTiO3 films journal February 2016
Microstructure and ordering of iron vacancies in the superconductor system K y Fe x Se 2 as seen via transmission electron microscopy journal April 2011
High-temperature superconductivity and its robustness against magnetic polarization in monolayer FeSe on EuTiO3 journal October 2021
The Key Ingredients of the Electronic Structure of FeSe journal March 2018
Distinct Fermi Surface Topology and Nodeless Superconducting Gap in a ( Tl 0.58 Rb 0.42 ) Fe 1.72 Se 2 Superconductor journal March 2011
Role of nematicity in controlling spin fluctuations and superconducting Tc in bulk FeSe journal April 2022
Exotic Superconducting States in FeSe-based Materials journal October 2020
Superconductivity above 100 K in single-layer FeSe films on doped SrTiO3 journal November 2014
S/Te co-doping in tetragonal FeSe with unchanged lattice parameters: Effects on superconductivity and electronic structure journal April 2017
Graphene: Status and Prospects journal June 2009
Controlling T c through Band Structure and Correlation Engineering in Collapsed and Uncollapsed Phases of Iron Arsenides journal June 2020
Comparison of Ab initio Low-Energy Models for LaFePO, LaFeAsO, BaFe 2 As 2 , LiFeAs, FeSe, and FeTe: Electron Correlation and Covalency journal April 2010
Superconductivity in the iron selenide K x Fe 2 Se 2 ( 0 ≤ x ≤ 1.0 ) journal November 2010
Unified picture of the doping dependence of superconducting transition temperatures in alkali metal/ammonia intercalated FeSe journal January 2015
Interface-Induced High-Temperature Superconductivity in Single Unit-Cell FeSe Films on SrTiO 3 journal March 2012
Phase Diagram of Nickelate Superconductors Calculated by Dynamical Vertex Approximation journal January 2022
Suppression of superconductivity and enhanced critical field anisotropy in thin flakes of FeSe journal May 2020
Effects of Ni and Co doping on the physical properties of tetragonal FeSe0.5Te0.5 superconductor journal July 2010
Critical Properties of the Half-Filled Hubbard Model in Three Dimensions journal December 2011
Ammonia-Rich High-Temperature Superconducting Intercalates of Iron Selenide Revealed through Time-Resolved in Situ X-ray and Neutron Diffraction journal January 2014
Dispersionless orbital excitations in (Li,Fe)OHFeSe superconductors journal August 2022
Two-dimensional gas of massless Dirac fermions in graphene journal November 2005
Van der Waals stacked 2D layered materials for optoelectronics journal April 2016
Two-dimensional atomic crystals journal July 2005
A survey of the Van Hove scenario for high-tc superconductivity with special emphasis on pseudogaps and striped phases journal August 1997
Iron-Based Layered Superconductor La[O 1- x F x ]FeAs ( x = 0.05−0.12) with T c = 26 K journal March 2008
Electric field-induced superconducting transition of insulating FeSe thin film at 35 K journal March 2016
Absence of a Holelike Fermi Surface for the Iron-Based K 0.8 Fe 1.7 Se 2 Superconductor Revealed by Angle-Resolved Photoemission Spectroscopy journal May 2011
Questaal: A package of electronic structure methods based on the linear muffin-tin orbital technique journal April 2020
Electronic Structure Correspondence of Singlet-Triplet Scale Separation in Strained Sr2RuO4 journal January 2021
Intercalation of Layered Materials from Bulk to 2D journal May 2019
Intercalates of Bi2Se3 studied in situ by time-resolved powder X-ray diffraction and neutron diffraction journal January 2021
Emergence of the nematic electronic state in FeSe journal April 2015
High- T c superconductivity due to coexisting wide and narrow bands: A fluctuation exchange study of the Hubbard ladder as a test case journal December 2005
Why the critical temperature of high- T c cuprate superconductors is so low: The importance of the dynamical vertex structure journal January 2019
Enhanced superconducting transition temperature in hyper-interlayer-expanded FeSe despite the suppressed electronic nematic order and spin fluctuations journal September 2015
Observation of superconductivity at 30∼46K in AxFe2Se2(A = Li, Na, Ba, Sr, Ca, Yb and Eu) journal May 2012
Theoretical evidence for strong correlations and incoherent metallic state in FeSe journal August 2010
Strong Correlations from Hund’s Coupling journal April 2013
Dynamical mean-field theory within the full-potential methods: Electronic structure of CeIrIn 5 , CeCoIn 5 , and CeRhIn 5 journal May 2010
Role of the orbital degree of freedom in iron-based superconductors journal October 2017
Iron-Based Layered Superconductor:  LaOFeP journal August 2006
Enhanced Superconducting Pairing Strength near a Pure Nematic Quantum Critical Point journal March 2023