Atomic displacements effects on the electronic properties of Bi_(2)Sr_(2)Ca_(2)Cu_(3)O_(10)

• Autores: J.A. Camargo-Martínez, Diego Espitia, R. Baquero
• Localización: Revista Mexicana de Física, ISSN-e 0035-001X, Vol. 61, Nº. 2, 2015, págs. 88-95
• Idioma: inglés
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• Resumen

  • The displacement effects of the oxygen atom associated to the Sr-plane (O3) in the electronic properties of Bi_(2)Sr_(2)Ca_(2)Cu_(3)O_(10) (Bi-2223), have been investigated using density functional theory. We determined intervals of the O3 atomic positions for which the band structure calculations show that the Bi-O bands, around the high symmetry point M in the irreducible Brillouin zone, emerge towards higher energies avoiding its contribution at Fermi level, as experimentally has been reported. This procedure does not introduce foreing doping elements magnetic resonance (NMR) experiments. The two options found differ in character (metallic or nonmetallid) of the Bi-O plane. There are not any experiments, to the best of our knowledge, which determine this character for Bi-2223.