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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.

Published online by Cambridge University Press:  04 November 2019

Ronald Columbié-Leyva ,
Jacques Soullard  and
Ilya G. Kaplan
Ronald Columbié-Leyva
Affiliation:
Instituto de Investigación en Materiales, UNAM, AP 70-360, 04510, CDMX, Mexico.
Jacques Soullard
Affiliation:
Instituto de Física, UNAM, AP 20-364, 010000CDMX, México.
Ilya G. Kaplan*
Affiliation:
Instituto de Investigación en Materiales, UNAM, AP 70-360, 04510, CDMX, Mexico.
*
*(Email: [email protected])
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Abstract

The superconductivity has a long history. One of the most recent discoveries is the superconductivity in the Fe- based family with anti- ferromagnetic 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.

Keywords

superconductingcluster assemblyFeRhPd
Type
Articles
Information
MRS Advances , Volume 4 , Issue 61-62: International Materials Research Congress XXVIII , 2019 , pp. 3365 - 3372
Copyright
Copyright © Materials Research Society 2019 

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