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Electronic structure study of new family of high-Tc Fe-superconductors based on BaFe2As2 in presence of dopants Rh and Pd.

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Abstract

The superconductivity has a long history. One of the most recent discoveries is the superconductivity in the Febased family with antiferromagnetic state at ambient temperature. In this type of material, the transition to the superconductivity state was found in presence of different dopants. In this report we present the results of calculations of the cluster representing Ba4Fe5As8 in presence of Rh and Pd as dopants. The methodology of Embedded Cluster Method at the MP2 electron correlation level was employed. The population analysis showed two main features: the independence of charge density transfer from the spin density transfer and, the presence of orbitals with electron density but without spin density. The observed properties correspond to the RVB mechanism for the superconductivity transition proposed by Anderson for cuprates. This confirms our conclusions obtained in the same material doped by Co and Ni.

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Authors and Affiliations

  1. Instituto de Investigación en Materiales, UNAM, AP 70-360, CDMX, 04510, Mexico

    Ronald Columbié-Leyva & Ilya G. Kaplan

  2. Instituto de Física, UNAM, AP 20-364, CDMX, 010000, México

    Jacques Soullard

Authors
  1. Ronald Columbié-Leyva
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  2. Jacques Soullard
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  3. Ilya G. Kaplan
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Columbié-Leyva, R., Soullard, J. & Kaplan, I.G. Electronic structure study of new family of high-Tc Fe-superconductors based on BaFe2As2 in presence of dopants Rh and Pd.. MRS Advances 4, 3365–3372 (2019). https://doi.org/10.1557/adv.2019.409

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