Atomic displacements effects on the electronic properties of Bi2Sr2Ca2Cu3O10



Document title: Atomic displacements effects on the electronic properties of Bi2Sr2Ca2Cu3O10
Journal: Revista mexicana de física
Database: PERIÓDICA
System number: 000381199
ISSN: 0035-001X
Authors: 1
2
2
Institutions: 1Fundación Universitaria Internacional del Trópico Americano, Grupo de Investigación en Ciencias Básicas, Aplicación e Innovación, Yopal, Casanare. Colombia
2Instituto Politécnico Nacional, Centro de Investigación y de Estudios Avanzados, México, Distrito Federal. México
Year:
Season: Mar-Abr
Volumen: 61
Number: 2
Pages: 88-95
Country: México
Language: Inglés
Document type: Artículo
Approach: Analítico, descriptivo
English abstract The displacements effects of the oxygen atom associated to the Sr-plane (O3) in the electronic properties of Bi2Sr2Ca2Cu3O10 (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 foreign doping elements into the calculation. Our calculations present a good agreement with the angle-resolved photoemission spectroscopy (ARPES) and nuclear magnetic resonance (NMR) experiments. The two options found differ in character (metallic or nonmetallic) of the Bi-O plane. There are not any experiments, to the best of our knowledge, which determine this character for Bi-2223
Disciplines: Física y astronomía
Keyword: Física de materia condensada,
Estructura electrónica,
Estructura de bandas,
Superficie de Fermi
Keyword: Physics and astronomy,
Condensed matter physics,
Electronic structure,
Band structure,
Fermi surface
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