Controlling $T_c$ through Band Structure and Correlation Engineering in Collapsed and Uncollapsed Phases of Iron Arsenides

Acharya, Swagata; Pashov, Dimitar; Jamet, Francois; van Schilfgaarde, Mark

doi:10.1103/physrevlett.124.237001

Title: Controlling $$T_c$$ through Band Structure and Correlation Engineering in Collapsed and Uncollapsed Phases of Iron Arsenides

Journal Article · Thu Jun 11 00:00:00 EDT 2020 · Physical Review Letters

DOI:https://doi.org/10.1103/physrevlett.124.237001· OSTI ID:1660066

^[1]; Pashov, Dimitar ^[1];

^[1]; van Schilfgaarde, Mark ^[2]

King's College, London (United Kingdom)
King's College, London (United Kingdom); National Renewable Energy Lab. (NREL), Golden, CO (United States)

Recent observations of selective emergence (suppression) of superconductivity in the uncollapsed (collapsed) tetragonal phase of LaFe₂As₂ has rekindled interest in understanding what features of the band structure control the superconducting $$T_c$$. In this work, we show that the proximity of the narrow Fe-$$d_{xy}$$ state to the Fermi energy emerges as the primary factor. In the uncollapsed phase this state is at the Fermi energy, and is most strongly correlated and a source of enhanced scattering in both single and two particle channels. The resulting intense and broad low energy spin fluctuations suppress magnetic ordering and simultaneously provide glue for Cooper pair formation. In the collapsed tetragonal phase, the $$d_{xy}$$ state is driven far below the Fermi energy, which suppresses the low-energy scattering and blocks superconductivity. A similar source of broad spin excitation appears in uncollapsed and collapsed phases of CaFe₂As₂. This suggests controlling coherence provides a way to engineer $$T_c$$ in unconventional superconductors primarily mediated through spin fluctuations.

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Research Organization:: National Renewable Energy Lab. (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE); Simons Many-Electron Collaboration; Engineering and Physical Sciences Research Council (EPSRC)

Grant/Contract Number:: AC36-08GO28308; EP/ P020259/1

OSTI ID:: 1660066

Report Number(s):: NREL/JA-5F00-77311; MainId:26257; UUID:5ef34c36-7f16-405e-80ef-581de2541892; MainAdminID:14037; TRN: US2203488

Journal Information:: Physical Review Letters, Vol. 124, Issue 23; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 5 works

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References (20)

First-order structural phase transition in ${CaFe}_{2} {As}_{2}$ Ni, N.; Nandi, S.; Kreyssig, A. Physical Review B, Vol. 78, Issue 1 https://doi.org/10.1103/PhysRevB.78.014523	journal	July 2008
Self-energies in itinerant magnets: A focus on Fe and Ni Sponza, Lorenzo; Pisanti, Paolo; Vishina, Alena Physical Review B, Vol. 95, Issue 4 https://doi.org/10.1103/PhysRevB.95.041112	journal	January 2017
Neutron-Diffraction Measurements of Magnetic Order and a Structural Transition in the Parent ${BaFe}_{2} {As}_{2}$ Compound of FeAs-Based High-Temperature Superconductors Huang, Q.; Qiu, Y.; Bao, Wei Physical Review Letters, Vol. 101, Issue 25 https://doi.org/10.1103/PhysRevLett.101.257003	journal	December 2008
Electron–phonon-driven three-dimensional metallicity in an insulating cuprate Baldini, Edoardo; Sentef, Michael A.; Acharya, Swagata Proceedings of the National Academy of Sciences, Vol. 117, Issue 12 https://doi.org/10.1073/pnas.1919451117	journal	March 2020
Effective Coulomb interaction in transition metals from constrained random-phase approximation Şaşıoğlu, Ersoy; Friedrich, Christoph; Blügel, Stefan Physical Review B, Vol. 83, Issue 12 https://doi.org/10.1103/PhysRevB.83.121101	journal	March 2011
Pressure Induced Superconductivity in ${CaFe}_{2} {As}_{2}$ Torikachvili, Milton S.; Bud’ko, Sergey L.; Ni, Ni Physical Review Letters, Vol. 101, Issue 5 https://doi.org/10.1103/PhysRevLett.101.057006	journal	July 2008
Metal-Insulator Transition in Copper Oxides Induced by Apex Displacements Acharya, Swagata; Weber, Cédric; Plekhanov, Evgeny Physical Review X, Vol. 8, Issue 2 https://doi.org/10.1103/PhysRevX.8.021038	journal	May 2018
Questaal: A package of electronic structure methods based on the linear muffin-tin orbital technique Pashov, Dimitar; Acharya, Swagata; Lambrecht, Walter R. L. Computer Physics Communications, Vol. 249 https://doi.org/10.1016/j.cpc.2019.107065	journal	April 2020
Novel Fe-Based Superconductor ${LaFe}_{2} {As}_{2}$ in Comparison with Traditional Pnictides Mazin, I. I.; Shimizu, Makoto; Takemori, Nayuta Physical Review Letters, Vol. 123, Issue 26 https://doi.org/10.1103/PhysRevLett.123.267001	journal	December 2019
Superconductivity in Uncollapsed Tetragonal LaFe ₂ As ₂ Iyo, Akira; Ishida, Shigeyuki; Fujihisa, Hiroshi The Journal of Physical Chemistry Letters, Vol. 10, Issue 5 https://doi.org/10.1021/acs.jpclett.9b00321	journal	February 2019
Scaling of the Fano Effect of the In-Plane Fe-As Phonon and the Superconducting Critical Temperature in ${Ba}_{1 - x} K_{x} {Fe}_{2} {As}_{2}$ Xu, B.; Cappelluti, E.; Benfatto, L. Physical Review Letters, Vol. 122, Issue 21 https://doi.org/10.1103/PhysRevLett.122.217002	journal	May 2019
Nematic spin fluid in the tetragonal phase of BaFe $_{2}$ As $_{2}$ Harriger, L. W.; Luo, H. Q.; Liu, M. S. Physical Review B, Vol. 84, Issue 5 https://doi.org/10.1103/PhysRevB.84.054544	journal	August 2011
Quasiparticle self-consistent $G W$ method: A basis for the independent-particle approximation Kotani, Takao; van Schilfgaarde, Mark; Faleev, Sergey V. Physical Review B, Vol. 76, Issue 16 https://doi.org/10.1103/PhysRevB.76.165106	journal	October 2007
Pressure-induced volume-collapsed tetragonal phase of ${CaFe}_{2} {As}_{2}$ as seen via neutron scattering Kreyssig, A.; Green, M. A.; Lee, Y. Physical Review B, Vol. 78, Issue 18 https://doi.org/10.1103/PhysRevB.78.184517	journal	November 2008
Spin dynamics and orbital-antiphase pairing symmetry in iron-based superconductors Yin, Z. P.; Haule, K.; Kotliar, G. Nature Physics, Vol. 10, Issue 11 https://doi.org/10.1038/nphys3116	journal	October 2014
Merging GW with DMFT and non-local correlations beyond Tomczak, J. M.; Liu, P.; Toschi, A. The European Physical Journal Special Topics, Vol. 226, Issue 11 https://doi.org/10.1140/epjst/e2017-70053-1	journal	July 2017
Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides Yin, Z. P.; Haule, K.; Kotliar, G. Nature Materials, Vol. 10, Issue 12 https://doi.org/10.1038/nmat3120	journal	September 2011
Superconductivity in Undoped CaFe ₂ As ₂ Single Crystals Chen, Dong-Yun; Yu, Jia; Ruan, Bin-Bin Chinese Physics Letters, Vol. 33, Issue 6 https://doi.org/10.1088/0256-307X/33/6/067402	journal	June 2016
Hidden robust presence of a hole Fermi surface in a heavily electron-doped iron-based superconductor ${LaFe}_{2} {As}_{2}$ Usui, Hidetomo; Kuroki, Kazuhiko Physical Review Research, Vol. 1, Issue 3 https://doi.org/10.1103/PhysRevResearch.1.033025	journal	October 2019
Why the critical temperature of high- $T_{c}$ cuprate superconductors is so low: The importance of the dynamical vertex structure Kitatani, Motoharu; Schäfer, Thomas; Aoki, Hideo Physical Review B, Vol. 99, Issue 4 https://doi.org/10.1103/PhysRevB.99.041115	journal	January 2019

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Title: Controlling $$T_c$$ through Band Structure and Correlation Engineering in Collapsed and Uncollapsed Phases of Iron Arsenides

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