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      Fermi surface and effective masses in photoemission response of the (Ba 1− x K x )Fe 2As 2 superconductor

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          Abstract

          The angle-resolved photoemission spectra of the superconductor (Ba 1− x K x )Fe 2As 2 have been investigated accounting coherently for spin-orbit coupling, disorder and electron correlation effects in the valence bands combined with final state, matrix element and surface effects. Our results explain the previously obscured origins of all salient features of the ARPES response of this paradigm pnictide compound and reveal the origin of the Lifshitz transition. Comparison of calculated ARPES spectra with the underlying DMFT band structure shows an important impact of final state effects, which result for three-dimensional states in a deviation of the ARPES spectra from the true spectral function. In particular, the apparent effective mass enhancement seen in the ARPES response is not an entirely intrinsic property of the quasiparticle valence bands but may have a significant extrinsic contribution from the photoemission process and thus differ from its true value. Because this effect is more pronounced for low photoexcitation energies, soft-X-ray ARPES delivers more accurate values of the mass enhancement due to a sharp definition of the 3D electron momentum. To demonstrate this effect in addition to the theoretical study, we show here new state of the art soft-X-ray and polarisation dependent ARPES measurments.

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          Most cited references 48

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          Unconventional sign-reversing superconductivity in LaFeAsO_(1-x)F_x

           M. Du,  I. Mazin,  D. J. Singh (2008)
          We argue that the newly discovered superconductivity in a nearly magnetic, Fe-based layered compound is unconventional and mediated by antiferromagnetic spin fluctuations, though different from the usual superexchange and specific to this compound. This resulting state is an example of extended s-wave pairing with a sign reversal of the order parameter between different Fermi surface sheets. The main role of doping in this scenario is to lower the density of states and suppress the pair-breaking ferromagnetic fluctuations.
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            Spin density wave anomaly at 140 K in the ternary iron arsenide BaFe2As2

            The ternary iron arsenide BaFe2As2 with the tetragonal ThCr2Si2-type structure exhibits a spin density wave (SDW) anomaly at 140 K, very similar to LaFeAsO, the parent compound of the iron arsenide superconductors. BaFe2As2 is a poor Pauli-paramagnetic metal and undergoes a structural and magnetic phase transition at 140 K, accompanied by strong anomalies in the specific heat, electrical resistance and magnetic susceptibility. In the course of this transition, the space group symmetry changes from tetragonal (I4/mmm) to orthorhombic (Fmmm). 57Fe Moessbauer spectroscopy experiments show a single signal at room temperature and full hyperfine field splitting below the phase transition temperature (5.2 T at 77 K). Our results suggest that BaFe2As2 can serve as a new parent compound for oxygen-free iron arsenide superconductors.
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              Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications

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                Author and article information

                Contributors
                gerald.derondeau@cup.uni-muenchen.de
                vladimir.strocov@psi.ch
                jminar@ntc.zcu.cz
                Journal
                Sci Rep
                Sci Rep
                Scientific Reports
                Nature Publishing Group UK (London )
                2045-2322
                18 August 2017
                18 August 2017
                2017
                : 7
                Affiliations
                [1 ]ISNI 0000 0004 1936 973X, GRID grid.5252.0, Department Chemie, Physikalische Chemie, , Universität München, ; Butenandtstr. 5-13, 81377 München, Germany
                [2 ]ISNI 0000 0001 1090 7501, GRID grid.5991.4, Swiss Light Source, , Paul Scherrer Institute, ; CH-5232 Villigen, PSI Switzerland
                [3 ]ISNI 0000 0001 2151 536X, GRID grid.26999.3d, Department of Applied Chemistry, , School of Engineering, University of Tokyo, ; 7-3-1 Hongo, Bunkyo-ku, Tokyo, 113-8656 Japan
                [4 ]Beijing National Laboratory for Condensed Matter Physics, Beijing, China
                [5 ]ISNI 0000 0004 0605 6806, GRID grid.458438.6, , Institute of Physics, Chinese Academy of Sciences, ; Beijing, 100190 China
                [6 ]ISNI 0000 0001 0176 7631, GRID grid.22557.37, NewTechnologies-Research Center, , University of West Bohemia, ; Pilsen, Czech Republic
                Article
                9480
                10.1038/s41598-017-09480-y
                5562888
                28821871
                © The Author(s) 2017

                Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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