Electronic structure of Ti-doped Sr4Sc2Fe2As2O6 - Condensed Matter > SuperconductivityReportar como inadecuado

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Abstract: First principle FLAPW-GGA calculations have been performed with the purposeto understand the electronic properties for the newly synthesized tetragonalspace group P4-nmm layered iron arsenide-oxide: Sr4Sc2Fe2As2O6 doped withtitanium. The total and partial densities of states, low-temperature electronspecific heat and molar Pauli paramagnetic susceptibility have been obtainedand discussed for Sr4ScTiFe2As2O6 in comparison with parent phaseSr4Sc2Fe2As2O6.Our results show that the insertion of Ti into Sc sublattice of ironarsenide-oxide phase Sr4Sc2Fe2As2O6 leads to principal change of its electronicstructure; in result the insulating so-called -charge reservoirs-, i.e.perovskite-based Sr4Sc2O6 blocks became conducting. This situation differsessentially from the known picture for all others Fe-As superconductors wherethe conducting Fe2As2 blocks are separated by isolating blocks.

Autor: I.R. Shein, A.L. Ivanovskii

Fuente: https://arxiv.org/

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