Evolution of spin excitations from bulk to monolayer FeSe

Jonathan Pelliciari; Seher Karakuzu; Qi Song; Riccardo Arpaia; Abhishek Nag; Matteo Rossi; Jiemin Li; Tianlun Yu; Xiaoyang Chen; Rui Peng; Mirian García-Fernández; Andrew C. Walters; Qisi Wang; Jun Zhao; Giacomo Ghiringhelli; Donglai Feng; Thomas A. Maier; Ke Jin Zhou; Steven Johnston; Riccardo Comin

doi:10.1038/s41467-021-23317-3

Evolution of spin excitations from bulk to monolayer FeSe

Jonathan Pelliciari, Seher Karakuzu, Qi Song, Riccardo Arpaia, Abhishek Nag, Matteo Rossi, Jiemin Li, Tianlun Yu, Xiaoyang Chen, Rui Peng, Mirian García-Fernández, Andrew C. Walters, Qisi Wang, Jun Zhao, Giacomo Ghiringhelli, Donglai Feng, Thomas A. Maier, Ke Jin Zhou, Steven Johnston, Riccardo Comin

Computational Sciences & Engineering Div

Research output: Contribution to journal › Article › peer-review

34 Scopus citations

Abstract

In ultrathin films of FeSe grown on SrTiO₃ (FeSe/STO), the superconducting transition temperature T_c is increased by almost an order of magnitude, raising questions on the pairing mechanism. As in other superconductors, antiferromagnetic spin fluctuations have been proposed to mediate SC making it essential to study the evolution of the spin dynamics of FeSe from the bulk to the ultrathin limit. Here, we investigate the spin excitations in bulk and monolayer FeSe/STO using resonant inelastic x-ray scattering (RIXS) and quantum Monte Carlo (QMC) calculations. Despite the absence of long-range magnetic order, bulk FeSe displays dispersive magnetic excitations reminiscent of other Fe-pnictides. Conversely, the spin excitations in FeSe/STO are gapped, dispersionless, and significantly hardened relative to its bulk counterpart. By comparing our RIXS results with simulations of a bilayer Hubbard model, we connect the evolution of the spin excitations to the Fermiology of the two systems revealing a remarkable reconfiguration of spin excitations in FeSe/STO, essential to understand the role of spin fluctuations in the pairing mechanism.

Original language	English
Article number	3122
Journal	Nature Communications
Volume	12
Issue number	1
DOIs	https://doi.org/10.1038/s41467-021-23317-3
State	Published - Dec 1 2021

Funding

We acknowledge John Tranquada, Rafael Fernandes, Connor Occhialini, and Andrey Chubukov for enlightening discussions. We also thank Nick Brookes, Kurt Kummer, and Davide Betto for initial tests on FeSe/STO. This work was supported by the Air Force Office of Scientific Research Young Investigator Program under grant FA9550-19-1-0063 (J.P. and R.C.). We thank Diamond Light Source for the allocation of beamtime to proposal SP18883. J.P. acknowledges financial support by the Swiss National Science Foundation Early Postdoc Mobility Fellowship Project No. P2FRP2_171824 and P400P2_180744. S.K., T.A.M., and S.J. are supported by the Scientific Discovery through Advanced Computing (SciDAC) program funded by U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences, Division of Materials Sciences and Engineering. S.J. acknowledges additional support from the Office of Naval Research under Grant No. N00014-18-1-2675. An award of computer time was provided by the INCITE program. This research also used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725. M.R. and G.G. were supported by the ERC-P-ReXS project (2016-0790) of the Fondazione CARIPLO and Regione Lombardia, in Italy. R.A. is supported by the Swedish Research Council (VR) under the Project 2017-00382. R.C. acknowledges support from the Alfred P. Sloan Foundation. X. C, R.P. and D.L.F acknowledge the support from National Natural Science Foundation of China (Nos. 11790310 and 11922403). R.C. and G.G. acknowledge support from the MIT-POLIMI Program (Progetto Rocca) of the MIT International Science and Technology Initiatives (MISTI) and Politecnico di Milano.

Funders	Funder number
MIT International Science and Technology Initiatives
MIT-POLIMI
Office of Naval Research	N00014-18-1-2675
U.S. Department of Energy
Air Force Office of Scientific Research	FA9550-19-1-0063
Alfred P. Sloan Foundation
Office of Science	DE-AC05-00OR22725, 2016-0790
Advanced Scientific Computing Research
U.S. Air Force
Division of Materials Sciences and Engineering
National Outstanding Youth Science Fund Project of National Natural Science Foundation of China	11922403
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung	P2FRP2_171824, P400P2_180744
National Natural Science Foundation of China	11790310
Fondazione Cariplo
Vetenskapsrådet	2017-00382
Politecnico di Milano
Regione Lombardia

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Pelliciari, J., Karakuzu, S., Song, Q., Arpaia, R., Nag, A., Rossi, M., Li, J., Yu, T., Chen, X., Peng, R., García-Fernández, M., Walters, A. C., Wang, Q., Zhao, J., Ghiringhelli, G., Feng, D., Maier, T. A., Zhou, K. J., Johnston, S., & Comin, R. (2021). Evolution of spin excitations from bulk to monolayer FeSe. Nature Communications, 12(1), Article 3122. https://doi.org/10.1038/s41467-021-23317-3

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abstract = "In ultrathin films of FeSe grown on SrTiO3 (FeSe/STO), the superconducting transition temperature Tc is increased by almost an order of magnitude, raising questions on the pairing mechanism. As in other superconductors, antiferromagnetic spin fluctuations have been proposed to mediate SC making it essential to study the evolution of the spin dynamics of FeSe from the bulk to the ultrathin limit. Here, we investigate the spin excitations in bulk and monolayer FeSe/STO using resonant inelastic x-ray scattering (RIXS) and quantum Monte Carlo (QMC) calculations. Despite the absence of long-range magnetic order, bulk FeSe displays dispersive magnetic excitations reminiscent of other Fe-pnictides. Conversely, the spin excitations in FeSe/STO are gapped, dispersionless, and significantly hardened relative to its bulk counterpart. By comparing our RIXS results with simulations of a bilayer Hubbard model, we connect the evolution of the spin excitations to the Fermiology of the two systems revealing a remarkable reconfiguration of spin excitations in FeSe/STO, essential to understand the role of spin fluctuations in the pairing mechanism.",

author = "Jonathan Pelliciari and Seher Karakuzu and Qi Song and Riccardo Arpaia and Abhishek Nag and Matteo Rossi and Jiemin Li and Tianlun Yu and Xiaoyang Chen and Rui Peng and Mirian Garc{\'i}a-Fern{\'a}ndez and Walters, {Andrew C.} and Qisi Wang and Jun Zhao and Giacomo Ghiringhelli and Donglai Feng and Maier, {Thomas A.} and Zhou, {Ke Jin} and Steven Johnston and Riccardo Comin",

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Pelliciari, J, Karakuzu, S, Song, Q, Arpaia, R, Nag, A, Rossi, M, Li, J, Yu, T, Chen, X, Peng, R, García-Fernández, M, Walters, AC, Wang, Q, Zhao, J, Ghiringhelli, G, Feng, D, Maier, TA, Zhou, KJ, Johnston, S & Comin, R 2021, 'Evolution of spin excitations from bulk to monolayer FeSe', Nature Communications, vol. 12, no. 1, 3122. https://doi.org/10.1038/s41467-021-23317-3

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AU - Pelliciari, Jonathan

AU - Karakuzu, Seher

AU - Song, Qi

AU - Arpaia, Riccardo

AU - Nag, Abhishek

AU - Rossi, Matteo

AU - Li, Jiemin

AU - Yu, Tianlun

AU - Chen, Xiaoyang

AU - Peng, Rui

AU - García-Fernández, Mirian

AU - Walters, Andrew C.

AU - Wang, Qisi

AU - Zhao, Jun

AU - Ghiringhelli, Giacomo

AU - Feng, Donglai

AU - Maier, Thomas A.

AU - Zhou, Ke Jin

AU - Johnston, Steven

AU - Comin, Riccardo

PY - 2021/12/1

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N2 - In ultrathin films of FeSe grown on SrTiO3 (FeSe/STO), the superconducting transition temperature Tc is increased by almost an order of magnitude, raising questions on the pairing mechanism. As in other superconductors, antiferromagnetic spin fluctuations have been proposed to mediate SC making it essential to study the evolution of the spin dynamics of FeSe from the bulk to the ultrathin limit. Here, we investigate the spin excitations in bulk and monolayer FeSe/STO using resonant inelastic x-ray scattering (RIXS) and quantum Monte Carlo (QMC) calculations. Despite the absence of long-range magnetic order, bulk FeSe displays dispersive magnetic excitations reminiscent of other Fe-pnictides. Conversely, the spin excitations in FeSe/STO are gapped, dispersionless, and significantly hardened relative to its bulk counterpart. By comparing our RIXS results with simulations of a bilayer Hubbard model, we connect the evolution of the spin excitations to the Fermiology of the two systems revealing a remarkable reconfiguration of spin excitations in FeSe/STO, essential to understand the role of spin fluctuations in the pairing mechanism.

AB - In ultrathin films of FeSe grown on SrTiO3 (FeSe/STO), the superconducting transition temperature Tc is increased by almost an order of magnitude, raising questions on the pairing mechanism. As in other superconductors, antiferromagnetic spin fluctuations have been proposed to mediate SC making it essential to study the evolution of the spin dynamics of FeSe from the bulk to the ultrathin limit. Here, we investigate the spin excitations in bulk and monolayer FeSe/STO using resonant inelastic x-ray scattering (RIXS) and quantum Monte Carlo (QMC) calculations. Despite the absence of long-range magnetic order, bulk FeSe displays dispersive magnetic excitations reminiscent of other Fe-pnictides. Conversely, the spin excitations in FeSe/STO are gapped, dispersionless, and significantly hardened relative to its bulk counterpart. By comparing our RIXS results with simulations of a bilayer Hubbard model, we connect the evolution of the spin excitations to the Fermiology of the two systems revealing a remarkable reconfiguration of spin excitations in FeSe/STO, essential to understand the role of spin fluctuations in the pairing mechanism.

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SN - 2041-1723

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ER -

Evolution of spin excitations from bulk to monolayer FeSe

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