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The key ingredients of the electronic structure of FeSe

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 Added by Amalia Coldea
 Publication date 2017
  fields Physics
and research's language is English




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FeSe is a fascinating superconducting material at the frontier of research in condensed matter physics. Here we provide an overview on the current understanding of the electronic structure of FeSe, focusing in particular on its low energy electronic structure as determined from angular resolved photoemission spectroscopy, quantum oscillations and magnetotransport measurements of single crystal samples. We discuss the unique place of FeSe amongst iron-based superconductors, being a multi-band system exhibiting strong orbitally-dependent electronic correlations and unusually small Fermi surfaces, prone to different electronic instabilities. We pay particular attention to the evolution of the electronic structure which accompanies the tetragonal-orthorhombic structural distortion of the lattice around 90 K, which stabilizes a unique nematic electronic state. Finally, we discuss how the multi-band multi-orbital nematic electronic structure has an impact on the understanding of the superconductivity, and show that the tunability of the nematic state with chemical and physical pressure will help to disentangle the role of different competing interactions relevant for enhancing superconductivity.



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We present ARPES data taken from the structurally simplest representative of iron-based superconductors, FeSe, in a wide temperature range. Apart from the variations related to the nematic transition, we detect very pronounced shifts of the dispersions on the scale of hundreds of kelvins. Remarkably, upon warming the sample up, the band structure has a tendency to relax to the one predicted by conventional band structure calculations, right opposite to what is intuitively expected. Our findings shed light on the origin of the dominant interaction shaping the electronic states responsible for high-temperature superconductivity in iron-based materials.
262 - Defa Liu , Xianxin Wu , Fangsen Li 2020
The accurate theoretical description of the underlying electronic structures is essential for understanding the superconducting mechanism of iron-based superconductors. Compared to bulk FeSe, the superconducting single-layer FeSe/SrTiO3 films exhibit a distinct electronic structure consisting of only electron Fermi pockets, due to the formation of a new band gap at the Brillouin zone (BZ) corners and an indirect band gap between the BZ center and corners. Although intensive studies have been carried out, the origin of such a distinct electronic structure and its connection to bulk FeSe remain unclear. Here we report a systematic study on the temperature evolution of the electronic structure in single-layer FeSe/SrTiO3 films by angle-resolved photoemission spectroscopy. A temperature-induced electronic phase transition was clearly observed at 200 K, above which the electronic structure of single-layer FeSe/SrTiO3 films restored to that of bulk FeSe, characterized by the closing of the new band gap and the vanishing of the indirect band gap. Moreover, the interfacial charge transfer effect induced band shift of ~ 60 meV was determined for the first time. These observations not only show the first direct evidence that the electronic structure of single-layer FeSe/SrTiO3 films originates from bulk FeSe through a combined effect of an electronic phase transition and an interfacial charge transfer, but also provide a quantitative basis for theoretical models in describing the electronic structure and understanding the superconducting mechanism in single-layer FeSe/SrTiO3 films.
The electronic structure of FeSe, the simplest iron based superconductor (Fe-SC), conceals a potential of dramatic increase of Tc that realizes under pressure or in a single layer film. This is also the system where nematicity, the phenomenon of a keen current interest, is most easy to study since it is not accompanied by the antiferomagnetic transition like in all other Fe-SCs. Here we overview recent experimental data on electronic structure of FeSe-based superconductors: isovalently doped crystals, intercalates, and single layer films, trying to clarify its topology and possible relation of this topology to superconductivity. We argue that the marked differences between the experimental and calculated band structures for all FeSe compounds can be described by a hoping selective renormalization model for a spin/orbital correlated state that may naturally explain both the evolution of the band structure with temperature and nematicity.
We provide a band structure with low-energy properties consistent with recent photoemission and quantum oscillations measurements on FeSe, assuming mean-field like s and/or d-wave orbital ordering at the structural transition. We show how the resulting model provides a consistent explanation of the temperature dependence of the measured Knight shift and the spin-relaxation rate. Furthermore, the superconducting gap structure obtained from spin fluctuation theory exhibits nodes on the electron pockets, consistent with the V-shaped density of states obtained by tunneling spectroscopy on this material, and the temperature dependence of the London penetration depth. Our studies prove that the recent experimental observations of the electronic properties of FeSe are consistent with orbital order, but leave open the microscopic origin of the unusual band structure of this material.
We use density functional theory to study the structure and the band structure of the monolayer FeSe deposited on the SrTiO$_3$ substrate with the additional layer of Se between them. Top of the SrTiO$_3$ is formed by the double TiO layer with and without oxygen vacancies. Several structures with different arrangements of the additional Se atoms above the double TiO layer is considered. Equilibrium structures were found and the band structures for them were obtained. Near the $Gamma=(0,0,0)$ point of the Brillouin zone, the hole Fermi surface pockets persist and, additionally, an electron pocket appears. Thus neither the presence of the additional Se layer nor the oxygen vacancies in the double TiO layer leads to the sinking of hole bands below the Fermi level near the $Gamma$ point. Necessity to include the strong electronic correlations into account is discussed.
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