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Revista mexicana de física
Print version ISSN 0035-001X
Rev. mex. fis. vol.60 n.1 México Feb. 2014
Investigación
First-principles study of electronic structure of Bi2Sr2Ca2Cu3O10
J. A. Camargo-Martínez, Diego Espitia and R. Baquero
Departamento de Física, Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, Av. IPN 2508, 07360 México
Received 25 July 2013.
Accepted 3 October 2013.
Abstract
We present for the first time the electronic structure calculation of Bi2Sr2Ca2Cu3O10 compound in the tetragonal structure (space group 14/mmm). We used the Local Density Approximation (LDA) as in the Wien2k code. We analyze in detail the band structure, density of states, and Fermi surface (FS) for this compound. The FS calculated shows the feature known as the Bi-O pocket problem which we associate with the interaction of the Cu2-O2 and Bi-O4 planes through O3 atoms. However, our FS in the nodal direction is in very good agreement with the FS measured using angle-resolved photo-emission spectroscopy (ARPES). This calculation is useful, since Bi2Sr2Ca2Cu3O10 compound show a transition to the superconducting state at ~ 110 K and to date there are no reports in the literature of its electronic structure known to us.
Keywords: Bi-2223; electronic structure; band structure; Fermi surface.
PACS: 74.72.Hs; 71.20.-b; 71.18.+y; 73.20.At
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Acknowledgments
The authors acknowledge to the GENERAL COORDINATION OF INFORMATION AND COMMUNICATIONS TECHNOLOGIES (CGSTIC) at CINVESTAV for providing HPC resources on the Hybrid Cluster Supercomputer Xiuhcoatl and to the Instituto de Ciencia y Tecnología del Distrito Federal under the contract ICyTDF/268/2011, that have contributed to the research results reported within this paper. J.A.C.M. acknowledges the support of Conacyt Mexico through a PhD scholarship. D.E. acknowledges the hospitality of the Department of Physics at Cinvestav.
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