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Here we report the electronic structure of FeS, a recently identified iron-based superconductor. Our high-resolution angle-resolved photoemission spectroscopy studies show two hole-like ($\alpha$ and $\beta$) and two electron-like ($\eta$…

Using a recently developed impurity solver we exemplify how dynamical mean field theory captures band excitations, resonances, edge singularities and excitons in core level x-ray absorption (XAS) and core level photo electron spectroscopy…

Strongly Correlated Electrons · Physics 2015-06-23 M. W. Haverkort , G. Sangiovanni , P. Hansmann , A. Toschi , Y. Lu , S. Macke

Fe-based superconductors have drawn much attention during the last decade due to the finding of superconductivity in materials containing the magnetic element, Fe, and the coexistence of superconductivity & magnetism. Extensive study of the…

Superconductivity · Physics 2015-01-07 Kalobaran Maiti

We present an ab initio description of optical and shallow-core x-ray absorption spectroscopies in a unified formalism based on the pseudopotential plane-wave method at the level of the Bethe-Salpeter equation (BSE) within Green's functions…

Materials Science · Physics 2023-06-07 M. Laura Urquiza , Matteo Gatti , Francesco Sottile

Core-level spectra of 1s electrons of elements heavier than Ne show significant relativistic effects. We combine advances in orbital optimized DFT (OO-DFT) with the spin-free exact two-component (X2C) model for scalar relativistic effects,…

Chemical Physics · Physics 2022-04-19 Leonardo A. Cunha , Diptarka Hait , Richard Kang , Yuezhi Mao , Martin Head-Gordon

We calculate electron energy loss spectra (EELS) for composite plasmonic structures based on silicene and germanene. A continued-fraction expression for the effective dielectric function is used to perform multiscale calculations of EELS…

Materials Science · Physics 2013-11-05 L. Rast , V. K. Tewary

We have performed soft x-ray and ultrahigh-resolution laser-excited photoemission measurements on tetragonal FeSe, which was recently identified as a superconductor. Energy dependent study of valence band is compared to band structure…

X-ray absorption spectroscopy (XAS) Fe K-edge spectra of the FeSex (x=1-0.8) single crystals cleaved in situ in vacuum reveal characteristic Fe 4sp states, a lattice distortion and the Se K-edge spectra point to a strong Fe 3d-Se 4p…

Strongly Correlated Electrons · Physics 2011-02-28 C. L. Chen , S. M. Rao , C. L. Dong , J. L. Chen , T. W. Huang , B. H. Mok , M. C. Ling , W. C. Wang , C. L. Chang , T. S. Chan , J. F. Lee , J. -H. Guo , M. K. Wu

Lattice contribution to the electronic self-energy in complex correlated oxides is a fascinating subject that has lately stimulated lively discussions. Expectations of electron-phonon self-energy effects for simpler materials, such as Pd…

Superconductivity · Physics 2008-01-16 W. S. Lee , S. Johnston , T. P. Devereaux , Z. -X. Shen

We obtained the spectral function of very high quality natural graphite single crystals using angle resolved photoelectron spectroscopy (ARPES). A clear separation of non-bonding and bonding bands and asymmetric lineshape are observed. The…

Strongly Correlated Electrons · Physics 2009-11-13 C. S. Leem , B. J. Kim , Chul Kim , S. R. Park , T. Ohta , A. Bostwick , E. Rotenberg , H. -D. Kim , M. K. Kim , H. J. Choi , C. Kim

We establish a rigorous density functional theory (DFT) framework for core-level X-ray absorption spectroscopy (XAS) by formulating a constrained search for core-excited states based on the Gunnarsson-Lundqvist theorem. Within this…

Materials Science · Physics 2025-11-25 Seokkyu An , Taisuke Ozaki

Modulated electroreflectance spectroscopy $\Delta R/R$ of semiconductor self-assembled quantum dots is investigated. The structure is modeled as dots with lens shape geometry and circular cross section. A microscopic description of the…

Materials Science · Physics 2016-08-16 A. H. Rodríguez , C. Trallero-Giner , Martín Muñoz , María C. Tamargo

We report optical spectroscopic measurements on electron- and hole-doped BaFe2As2. We show that the compounds in the normal state are not simple metals. The optical conductivity spectra contain, in addition to the free carrier response at…

Superconductivity · Physics 2015-05-28 N. L. Wang , W. Z. Hu , Z. G. Chen , R. H. Yuan , G. Li , G. F. Chen , T. Xiang

The electronic properties of Fe-doped Al0.31Ga0.69N/GaN heterostructures have been studied by Shubnikov-de Haas measurement. Two subbands of the two-dimensional electron gas in the hetero-interface were populated. After the low temperature…

Electronic correlations were long suggested not only to be responsible for the complexity of many novel materials, but also to form essential prerequisites for their intriguing properties. Electronic behavior of iron-based superconductors…

The electronic structure of the iron chalcogenide superconductor FeSe_{1-x} was investigated by high- resolution angle-resolved photoemission spectroscopy (ARPES). The results were compared to DFT calculations showing some significant…

The Fe-based superconducting KxFe2-ySe2 (0.6 {\leg} x {\leg} 1, 0.2{\leg} y {\leg} 0.4) compounds, unlike the well-known RFe2As2 (R = Ba, Sr, Ca) superconductors, contain complex structural features and notable physical properties, such as…

Superconductivity · Physics 2011-04-29 J. Q. Li , Y. J. Song , H. X. Yang , Z. Wang , H. L. Shi , G. F. Chen , Z. W. Wang , Z. Chen , H. F. Tian

Time-dependent and constituent-specific spectral changes in soft near edge X-ray spectroscopy (XAS) of an [Fe/MgO]$_8$ metal/insulator heterostructure upon laser excitation are analyzed at the O K-edge with picosecond time resolution. The…

The x-ray absorption near edge structure (XANES), developed in these last 40 years using synchrotron radiation, is a unique tool probing electronic correlations in complex systems via quantum many body final state effects. Multi electron…

Strongly Correlated Electrons · Physics 2017-11-27 Antonio Bianconi

Iron resonant valance band photoemission spectra of Sr substituted LaFe0.75Ni0.25 O3-{\delta} have been recorded across the Fe 2p - 3d absorption threshold to obtain Fe specific spectral information on the 3d projected partial density of…

Strongly Correlated Electrons · Physics 2011-06-07 Selma Erat , Hiroki Wadati , Funda Aksoy , Zhi Liu , Thomas Graule , Ludwig J. Gauckler , Artur Braun
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