First-principles Wannier function analysis of the electronic structure of PdTe: weaker magnetism and superconductivity.
J Phys Condens Matter
; 25(40): 405601, 2013 Oct 09.
Article
en En
| MEDLINE
| ID: mdl-24025790
ABSTRACT
We report a first-principles Wannier function study of the electronic structure of PdTe. Its electronic structure is found to be a broad three-dimensional Fermi surface with highly reduced correlation effects. In addition, the higher filling of the Pd d-shell, its stronger covalency resulting from the closer energy of the Pd d and Te p shells, and the larger crystal field effects of the Pd ion due to its near octahedral coordination, all serve to weaken significantly electronic correlations in the particle-hole (spin, charge, and orbital) channel. In comparison to the Fe chalcogenides, e.g. FeSe, we highlight the essential features (quasi-two-dimensionality, proximity to half-filling, weaker covalency, and higher orbital degeneracy) of Fe-based high-temperature superconductors.
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Colección:
01-internacional
Base de datos:
MEDLINE
Asunto principal:
Paladio
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Telurio
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Modelos Moleculares
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Conductividad Eléctrica
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Campos Magnéticos
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Modelos Químicos
Idioma:
En
Revista:
J Phys Condens Matter
Asunto de la revista:
BIOFISICA
Año:
2013
Tipo del documento:
Article
País de afiliación:
Estados Unidos