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Register a new userElectronic structure of CaFe2As2
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Added by
Prof. Kalobaran Maiti
Publication date
2013
fields
Physics
and research's language is
English
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We investigate the electronic structure of CaFe$_2$As$_2$ using high resolution photoemission spectroscopy. Experimental results exhibit three energy bands crossing the Fermi level making hole pockets around the $Gamma$-point. Temperature variation reveal a gradual shift of an energy band away from the Fermi level with the decrease in temperature in addition to the spin density wave (SDW) transition induced Fermi surface reconstruction of the second energy band across SDW transition temperature. The hole pocket in the former case eventually disappears at lower temperatures while the hole Fermi surface of the third energy band possessing finite $p$ orbital character survives till the lowest temperature studied. These results reveal signature of a complex charge redistribution among various energy bands as a function of temperature that might be associated to the exotic properties of this system.
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We use angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations to study the electronic structure of CaFe$_2$As$_2$ in previously unexplored collapsed tetragonal (CT) phase. This unusual phase of the iron arsenic high temperature superconductors was hard to measure as it exists only under pressure. By inducing internal strain, via the post growth, thermal treatment of the single crystals, we were able to stabilize the CT phase at ambient-pressure. We find significant differences in the Fermi surface topology and band dispersion data from the more common orthorhombic-antiferromagnetic or tetragonal-paramagnetic phases, consistent with electronic structure calculations. The top of the hole bands sinks below the Fermi level, which destroys the nesting present in parent phases. The absence of nesting in this phase along with apparent loss of Fe magnetic moment, are now clearly experimentally correlated with the lack of superconductivity in this phase.
We use angle-resolved photoemission spectroscopy (ARPES) to study the electronic properties of CaFe2As2 - parent compound of a pnictide superconductor. We find that the structural and magnetic transition is accompanied by a three- to two-dimensional (3D-2D) crossover in the electronic structure. Above the transition temperature (Ts) Fermi surfaces around Gamma and X points are cylindrical and quasi-2D. Below Ts the former becomes a 3D ellipsoid, while the latter remains quasi-2D. This finding strongly suggests that low dimensionality plays an important role in understanding the superconducting mechanism in pnictides.
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 ($eta$ and $delta$) Fermi pockets around the Brillouin zone center and corner, respectively, all of which exhibit moderate dispersion along $k_z$. However, a third hole-like band ($gamma$) is not observed, which is expected around the zone center from band calculations and is common in iron-based superconductors. Since this band has the highest renormalization factor and is known to be the most vulnerable to defects, its absence in our data is likely due to defect scattering --- and yet superconductivity can exist without coherent quasiparticles in the $gamma$ band. This may help resolve the current controversy on the superconducting gap structure of FeS. Moreover, by comparing the $beta$ bandwidths of various iron chalcogenides, including FeS, FeSe$_{1-x}$S$_x$, FeSe, and FeSe$_{1-x}$ Te$_x$, we find that the $beta$ bandwidth of FeS is the broadest. However, the band renormalization factor of FeS is still quite large, when compared with the band calculations, which indicates sizable electron correlations. This explains why the unconventional superconductivity can persist over such a broad range of isovalent substitution in FeSe$_{1-x}$Te$_{x}$ and FeSe$_{1-x}$S$_{x}$.
We investigate the role of ligand states in the electronic properties of CaFe2As2 using high-resolution hard x-ray photoemission spectroscopy (HAXPES) at different sample temperatures. Experimental results indicate that the binding energy of Ca is close to that for 2+ charge state of Ca atoms and the other constituent elements, Fe and As possess electronic configuration close to that in elemental systems. No difference is observed in the As 3p core level spectra with the change of emission angle and/or the change in sample temperature. This is surprising as the Ca atoms at the cleaved sample surface reorganizes itself to form linear structures which is expected to influence Ca-As hybridization leading to significant difference in surface and bulk electronic structures. Moreover, CaFe2As2 undergoes structural and magnetic phase transition at 170 K, and strong Fe-As hybridization provides pathways for electron dynamics. Clearly, further studies are required to resolve these puzzling observations.
We report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt-In stacking along the c-direction in this layered material than was previously reported. In addition, all the atomic sites are fully occupied with no evidence of atom site mixing, resolving a discrepancy between the observed high resistivity ratio of the material and the atomic disorder present in the previous structural model The Ce-Pt distance and coordination is typical of that seen in all other reported Ce_nM_mIn_3n+2m compounds. Our band structure calculations based on the correct structure reveal three bands at the Fermi level that are more three dimensional than those previously proposed, and Density functional theory (DFT) calculations show that the new structure has a significantly lower energy.
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