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We present a study of the tetragonal to collapsed-tetragonal transition of CaFe2As2 using angle-resolved photoemission experiments and dynamical mean field theory-based electronic structure calculations. We observe that the collapsed-tetragonal phase exhibits reduced correlations and a higher coherence temperature due to the stronger Fe-As hybridization. Furthermore, a comparison of measured photoemission spectra and theoretical spectral functions shows that momentum-dependent corrections to the density functional band structure are essential for the description of low-energy quasiparticle dispersions. We introduce those using the recently proposed combined Screened Exchange + Dynamical Mean Field Theory scheme.
45 - Delong Fang , Xun Shi , Zengyi Du 2014
Scanning tunneling spectroscopy (STS) and angle-resolved photoemission spectroscopy (ARPES) have been investigated on single crystal samples of KFe2As2. A van Hove singularity (vHs) has been directly observed just a few meV below the Fermi level E_F of superconducting KFe2As2, which locates in the middle of the principle axes of the first Brillouin zone. The majority of the density-of-states at E_F, mainly contributed by the proximity effect of the saddle point to E_F, is non-gapped in the superconducting state. Our observation of nodal behavior of the momentum area close to the vHs points, while providing consistent explanations to many exotic behaviours previously observed in this material, suggests Cooper pairing induced by a strong coupling mechanism.
103 - Qing Jie , Juan Zhou , Xun Shi 2010
p-type Ce1.05Fe4Sb12.04 filled skutterudites with much improved thermoelectric properties have been synthesized by rapidly converting nearly amorphous ribbons into crystalline pellets under pressure. It is found that this process greatly suppresses g rain growth and second phase formation/segregation, and hence results in the samples consisting of nano-sized grains with strongly-coupled grain boundaries, as observed by transmission electron microscopy. The room temperature carrier mobility in these samples is significantly higher (nearly double) than those in the samples of the same starting composition made by the conventional solid-state reaction. Nanostructure reduces the lattice thermal conductivity, while cleaner grain boundaries permit higher electron conduction.
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