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Register a new userUnusual Electronic Structure and Observation of Dispersion Kink in CeFeAsO Parent Compound of FeAs-Based Superconductors
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We report the first comprehensive high-resolution angle-resolved photoemission measurements on CeFeAsO, a parent compound of FeAs-based high temperature superconductors with a mangetic/structural transition at $sim$150 K. In the magnetic ordering state, four hole-like Fermi surface sheets are observed near $Gamma$(0,0) and the Fermi surface near M(+/-$pi$,+/-$pi$) shows a tiny electron-like pocket at M surrounded by four Dirac cone-like strong spots. The unusual Fermi surface topology deviates strongly from the band structure calculations. The electronic signature of the magnetic/structural transition shows up in the dramatic change of the quasiparticle scattering rate. A dispersion kink at $sim$ 25meV is for the first time observed in the parent compound of Fe-based superconductors.
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High resolution angle-resolved photoemission measurements have been carried out on BaFe2As2, a parent compound of the FeAs-based superconductors. In the magnetic ordering state, there is no gap opening observed on the Fermi surface. Instead, dramatic band structure reorganization occurs across the magnetic transition. The appearance of the singular Fermi spots near (pi,pi) is the most prominent signature of magnetic ordering. These observations provide direct evidence that the magnetic ordering state of BaFe2As2 is distinct from the conventional spin-density-wave state. They reflect the electronic complexity in this multiple-orbital system and necessity in involving the local magnetic moment in describing the underlying electron structure.
The search for oxide materials with physical properties similar to the cuprate high Tc superconductors, but based on alternative transition metals such as nickel, has grown and evolved over time. The recent discovery of superconductivity in doped inf
inite-layer nickelates RNiO2 (R = rare-earth element) further strengthens these efforts.With a crystal structure similar to the infinite-layer cuprates - transition metal oxide layers separated by a rare-earth spacer layer - formal valence counting suggests that these materials have monovalent Ni1+ cations with the same 3d electron count as Cu2+ in the cuprates. Here, we use x-ray spectroscopy in concert with density functional theory to show that the electronic structure of RNiO2 (R = La, Nd), while similar to the cuprates, includes significant distinctions. Unlike cuprates with insulating spacer layers between the CuO2 planes, the rare-earth spacer layer in the infinite-layer nickelate supports a weakly-interacting three-dimensional 5d metallic state. This three-dimensional metallic state hybridizes with a quasi-two-dimensional, strongly correlated state with 3dx2-y2 symmetry in the NiO2 layers. Thus, the infinite-layer nickelate can be regarded as a sibling of the rare earth intermetallics, well-known for heavy Fermion behavior, where the NiO2 correlated layers play an analogous role to the 4f states in rare-earth heavy Fermion compounds. This unique Kondo- or Anderson-lattice-like oxide-intermetallic replaces the Mott insulator as the reference state from which superconductivity emerges upon doping.
A new compound with the FeAs-layers, namely (Sr_3Sc_2O_5)Fe_2As_2 (abbreviated as FeAs-32522), was successfully fabricated. It has a layered structure with the space group of I4/mmm, and with the lattice constants a = 4.069 $AA$ and c = 26.876 $AA$. The in-plane Fe ions construct a square lattice which is close to that of other FeAs-based superconductors, such as REFeAsO (RE = rare earth elements) and (Ba,Sr)Fe_2As_2. However the inter FeAs-layer spacing in the new compound is greatly enlarged. The temperature dependence of resistivity exhibits a weak upturn in the low temperature region, but a metallic behavior was observed above about 60 K. The magnetic susceptibility shows also a non-monotonic behavior. Interestingly, the well-known resistivity anomaly which was discovered in all other parent compounds, such as REFeAsO, (Ba,Sr)Fe_2As_2 and (Sr,Ca,Eu)FeAsF and associated with the Spin-Density-Wave (SDW)/structural transition has not been found in the new system either on the resistivity data or the magnetization data. This could be induced by the large spacing distance between the FeAs-planes, therefore the antiferromagnetic correlation between the moments of Fe ions in neighboring FeAs-layers cannot be established. Alternatively it can also be attributed to the self-doping effect between Fe and Sc ions. The Hall coefficient R_H is negative but strongly temperature dependent in wide temperature region, which indicates the dominance of electrical conduction by electron-like charge carriers and probably a multi-band effect or a spin related scattering effect. It is found that the magnetoresistance cannot be described by the Kohlers rule, which gives further support to above arguments.
In addition to higher Tc compared with the ubiquitous cuprates for a material composed of a single electronically active layer, the newly discovered LnFeAsO superconductors offer additional compositional variation. In a similar fashion to the CuO2 layers in cuprates, the FeAs layers now dominate the electronic states that produce superconductivity. Cuprate superconductors distinguish themselves structurally by adopting different stacking of the Cu-O and electronically inactive spacer layers. Using the same structural philosophy, materials with the formula (A,K)Fe2As2,A=Ba or Sr have been reported and possess a Tc~38 K. Here, we report the neutron diffraction studies of BaFe2As2 that shows, in contrast to previous studies on the LnFeAsO materials, an antiferromagnetic transition which concurs with first-order structural transition. Although the magnetic and structural transitions occur differently in the AFe2As2 and LnFeAsO-type materials, this work clearly demonstrates that the complete evolution to a low symmetry structure is a pre-requirement for the magnetic order.
The electronic structures of FeAs-compounds strongly depend on the Fe-As bonding, which can not be described successfully by the local density approximation (LDA). Treating the multi-orbital fluctuations from $ab$-$initio$ by LDA+Gutzwiller method, we are now able to predict the correct Fe-As bond-length, and find that Fe-As bonding-strength is 30% weaker, which will explain the observed soft phonon. The bands are narrowed by a factor of 2, and the $d_{3z^2-r^2}$ orbital is pushed up to cross the Fermi level, forming 3-dimensional Fermi surfaces, which suppress the anisotropy and the ($pi,pi$) nesting. The inter-orbital Hunds coupling $J$ rather than $U$ plays crucial roles to obtain these results.
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