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Register a new userElectronic Structure Studies of Detwinned BaFe$_2$As$_2$ by Photoemission
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We performed angle resolved photoelectron spectroscopy (ARPES) studies on mechanically detwinned BaFe2As2. We observe clear band dispersions and the shapes and characters of the Fermi surfaces are identified. Shapes of the two hole pockets around the {Gamma}-point are found to be consistent with the Fermi surface topology predicted in the orbital ordered states. Dirac-cone like band dispersions near the {Gamma}-point are clearly identified as theoretically predicted. At the X-point, split bands remain intact in spite of detwinning, barring twinning origin of the bands. The observed band dispersions are compared with calculated band structures. With a magnetic moment of 0.2 ?B per iron atom, there is a good agreement between the calculation and experiment.
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We study the band structure of twinned and detwinned BaFe$_2$As$_2$ using angle-resolved photoemission spectroscopy (ARPES). The combination of measurements in the ordered and normal state along four high-symmetry momentum directions $Gamma$/Z--X/Y enables us to identify the complex reconstructed band structure in the ordered state in great detail. We clearly observe the nematic splitting of the $d_{xz}$ and $d_{yz}$ orbitals as well as folding due to magnetic order with a wave vector of $(pi,pi,pi)$. We are able to assign all observed bands. In particular we suggest an assignment of the electron bands different from previous reports. The high quality spectra allow us to achieve a comprehensive understanding of the band structure of BaFe$_2$As$_2$.
Understanding magnetic interactions in the parent compounds of high-temperature superconductors forms the basis for determining their role for the mechanism of superconductivity. For parent compounds of iron pnictide superconductors such as $A$Fe$_2$As$_2$ ($A=$ Ba, Ca, Sr), although spin excitations have been mapped out throughout the entire Brillouin zone (BZ), measurements were carried out on twinned samples and did not allow for a conclusive determination of the spin dynamics. Here we use inelastic neutron scattering to completely map out spin excitations of $sim$100% detwinned BaFe$_2$As$_2$. By comparing observed spectra with theoretical calculations, we conclude that the spin excitations can be well described by an itinerant model with important contributions from electronic correlations.
We studied the relationship between the charge doping and the correlation, and its effects on the spectral function of the BaFe$_2$As$_2$ compound in the framework of the density functional theory combined with the dynamical mean field theory (DFT+DMFT). The calculated mass enhancements showed that the electronic correlation varies systematically from weak to strong when moving from the heavily electron-doped regime to the heavily hole-doped one. Since the compound has a multi-orbital nature, the correlation is orbital-dependent and it increases as hole-doping increases. The Fe-3d$_{xy}$ (xy) orbital is much more correlated than the other orbitals, because it reaches its half-filled situation and has a narrower energy scale around the Fermi energy. Our findings can be consistently understood as the tendency of the heavily hole-doped BaFe$_2$As$_2$ compound to an orbital-selective Mott phase (OSMP). Moreover, the fact that the superconducting state of the heavily hole-doped BaFe$_2$As$_2$ is an extreme case of such a selective Mottness constrains the non-trivial role of the electronic correlation in iron-pnictide superconductors. In addition, the calculated spectral function shows a behavior that is compatible with experimental results reported for every charge-doped BaFe$_2$As$_2$ compound and clarifies the importance of the characterization of its physical effects on the material.
We have performed high-resolution angle-resolved photoemission spectroscopy on heavily electron-doped non-superconducting (SC) BaFe$_{1.7}$Co$_{0.3}$As$_2$. We find that the two hole Fermi surface pockets at the zone center observed in the hole-doped superconducting Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$ are absent or very small in this compound, while the two electron pockets at the M point significantly expand due to electron doping by the Co substitution. Comparison of the Fermi surface between non-SC and SC samples indicates that the coexistence of hole and electron pockets connected via the antiferromagnetic wave vector is essential in realizing the mechanism of superconductivity in the iron-based superconductors.
We have performed neutron diffraction measurement on a single crystal of parent compound of iron-based superconductor, BaFe$_2$As$_2$ at 12~K. In order to investigate in-plane anisotropy of magnetic form factor in the antiferromagnetic phase, the detwinned single crystal is used in the measurement. The magnetic structure factor and magnetic form factor are well explained by the spin densities consisting of $3d_{yz}$ electrons with a fraction of about 40~% and the electrons in the other four $3d$ orbitals with each fraction of about 15~%. Such anisotropic magnetic form factor is qualitatively consistent with the anisotropic magnetic behaviors observed in the antiferromagnetic phase of the parent compound of iron-based superconductor.
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