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      Direct imaging of electron transfer and its influence on superconducting pairing at FeSe/SrTiO 3 interface

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          Abstract

          We demonstrated electron transfer across the FeSe/STO interface and showed its dominant role in T c enhancement in this system.

          Abstract

          The exact mechanism responsible for the significant enhancement of the superconducting transition temperature ( T c) of monolayer iron selenide (FeSe) films on SrTiO 3 (STO) over that of bulk FeSe is an open issue. We present the results of a coordinated study of electrical transport, low temperature electron energy-loss spectroscopy (EELS), and high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) measurements on FeSe/STO films of different thicknesses. HAADF-STEM imaging together with EELS mapping across the FeSe/STO interface shows direct evidence of electrons transferred from STO to the FeSe layer. The transferred electrons were found to accumulate within the first two atomic layers of the FeSe films near the STO substrate. An additional Se layer is also resolved to reside between the FeSe film and the TiO x -terminated STO substrate. Our transport results found that a positive backgate applied from STO is particularly effective in enhancing T c of the films while minimally changing the carrier density. This increase in T c is due to the positive backgate that “pulls” the transferred electrons in FeSe films closer to the interface and thus enhances their coupling to interfacial phonons and also the electron-electron interaction within FeSe films.

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          Interfacial mode coupling as the origin of the enhancement of T(c) in FeSe films on SrTiO3.

          Films of iron selenide (FeSe) one unit cell thick grown on strontium titanate (SrTiO3 or STO) substrates have recently shown superconducting energy gaps opening at temperatures close to the boiling point of liquid nitrogen (77 kelvin), which is a record for the iron-based superconductors. The gap opening temperature usually sets the superconducting transition temperature Tc, as the gap signals the formation of Cooper pairs, the bound electron states responsible for superconductivity. To understand why Cooper pairs form at such high temperatures, we examine the role of the SrTiO3 substrate. Here we report high-resolution angle-resolved photoemission spectroscopy results that reveal an unexpected characteristic of the single-unit-cell FeSe/SrTiO3 system: shake-off bands suggesting the presence of bosonic modes, most probably oxygen optical phonons in SrTiO3 (refs 5, 6, 7), which couple to the FeSe electrons with only a small momentum transfer. Such interfacial coupling assists superconductivity in most channels, including those mediated by spin fluctuations. Our calculations suggest that this coupling is responsible for raising the superconducting gap opening temperature in single-unit-cell FeSe/SrTiO3.
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            Electron Energy-Loss Spectroscopy in the Electron Microscope

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              Parameter-free calculations of X-ray spectra with FEFF9.

              We briefly review our implementation of the real-space Green's function (RSGF) approach for calculations of X-ray spectra, focusing on recently developed parameter free models for dominant many-body effects. Although the RSGF approach has been widely used both for near edge (XANES) and extended (EXAFS) ranges, previous implementations relied on semi-phenomenological methods, e.g., the plasmon-pole model for the self-energy, the final-state rule for screened core hole effects, and the correlated Debye model for vibrational damping. Here we describe how these approximations can be replaced by efficient ab initio models including a many-pole model of the self-energy, inelastic losses and multiple-electron excitations; a linear response approach for the core hole; and a Lanczos approach for Debye-Waller effects. We also discuss the implementation of these models and software improvements within the FEFF9 code, together with a number of examples.
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                Author and article information

                Journal
                Sci Adv
                Sci Adv
                SciAdv
                advances
                Science Advances
                American Association for the Advancement of Science
                2375-2548
                March 2018
                16 March 2018
                : 4
                : 3
                : eaao2682
                Affiliations
                [1 ]Center for Nanoscale Science and Department of Physics, Pennsylvania State University, University Park, PA 16802–6300, USA.
                [2 ]State Key Laboratory of Advanced Welding and Joining and Research Center of Flexible Printed Electronic Technology, Harbin Institute of Technology, Shenzhen 518055, People’s Republic of China.
                [3 ]Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
                [4 ]Francis Bitter Magnet Laboratory and Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
                [5 ]Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, NY 11973, USA.
                [6 ]Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
                Author notes
                [*]

                These authors contributed equally to this work

                []Corresponding author. Email: mhc2@ 123456psu.edu (M.H.W.C.); zhu@ 123456bnl.gov (Y.Z.); cxc955@ 123456psu.edu (C.-Z.C.).
                Author information
                http://orcid.org/0000-0002-0373-1146
                http://orcid.org/0000-0002-7055-6368
                http://orcid.org/0000-0003-3515-2955
                http://orcid.org/0000-0002-8443-250X
                http://orcid.org/0000-0003-1881-1365
                http://orcid.org/0000-0002-1638-7217
                http://orcid.org/0000-0002-9582-527X
                Article
                aao2682
                10.1126/sciadv.aao2682
                5856486
                29556528
                5b5a44c1-db14-4652-b11a-35ed4795abdc
                Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).

                This is an open-access article distributed under the terms of the Creative Commons Attribution-NonCommercial license, which permits use, distribution, and reproduction in any medium, so long as the resultant use is not for commercial advantage and provided the original work is properly cited.

                History
                : 01 July 2017
                : 07 February 2018
                Funding
                Funded by: doi http://dx.doi.org/10.13039/100000001, National Science Foundation;
                Award ID: DMR 1420620
                Funded by: doi http://dx.doi.org/10.13039/100000001, National Science Foundation;
                Award ID: DMR-1207469, DMR-0819762, MIT MRSEC
                Funded by: doi http://dx.doi.org/10.13039/100000001, National Science Foundation;
                Award ID: DMR-1231319
                Funded by: doi http://dx.doi.org/10.13039/100000006, Office of Naval Research;
                Award ID: N00014-13-1-0301
                Funded by: Penn State MRSEC;
                Funded by: US-DOE-BES, Materials Science and Engineering Division;
                Award ID: DE-SC0012704
                Funded by: 1000 Plan for Young Talents of China and Open Research Fund Program of the State Key Laboratory of Low-Dimensional Quantum Physics;
                Award ID: KF201701
                Categories
                Research Article
                Research Articles
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                Materials Science
                Physics
                Physics
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