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Superficies y vacío

versão impressa ISSN 1665-3521

Resumo

PUCH-CEBALLOS, F; AGUILAR-SANCHEZ, J.  e  TOTOTZINTLE-HUITLE, H.. Contribución de los orbitales f en la densidad de estados de los superconductores NdBa2Cu3O7 y SmBa2Cu3O7. Superf. vacío [online]. 2013, vol.26, n.3, pp.84-89. ISSN 1665-3521.

This paper presents a calculation of the density of electronic states (DEE) of high critical temperature superconductors, NdBa2Cu3O7, SmBa2Cu3O7and and YBa2Cu3O7. The aim is to determine the effect of f orbitals of Sm and Nd atoms in total DEE, and partial ones. Calculations were performed with ab initio LAPW+lo method. The total DEE of the three systems are qualitatively similar, except for the region above the Fermi energy (Ef), which shows the contribution of f-orbitals of the rare earths. These contributions modify the partial DEE of CuO planes differently: for Nd123 there is a decrease in the contribution of the DEE, for an increase Sm123.

Palavras-chave : High Tc superconductivity; Density of electronic states; Re123 family; CuO planes; ƒ-orbitals.

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