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.

 

References

1. S. A. Sunshine et al., Phys. Rev. B 38 (1988) 893.         [ Links ]

2. A. Maeda, M. Hase, I. Tsukada, K. Noda, S. Takebayashi, and K. Uchinokura, Phys. Rev. B 41 (1990) 6418.         [ Links ]

3. J. L. Tallon et al., Nature 333 (1988) 153.         [ Links ]

4. J. M. Tarascon et al., Phys. Rev. B 38 (1988) 8885.         [ Links ]

5. P.V. Bogdanov et al., Phys. Rev. B 64 (2001) 180505. An references there in.         [ Links ]

6. M. S. Hybertsen and L. F. Mattheiss, Phys. Rev. Lett. 60 (1988) 1661.         [ Links ]

7. L. F. Mattheiss and D. R. Hamann, Phys. Rev. B 38 (1988) 5012.         [ Links ]

8. S. Massidda, J. Yu and A. J. Freeman, Phys. C 152 (1988) 251.         [ Links ]

9. H. Krakauer and W. E. Pickett, Phys. Rev. Lett. 60 (1988) 1665.         [ Links ]

10. P. A. Sterne and C. S. Wang, J. Phys. C: Solid State Phys. 21 (1988) L949.         [ Links ]

11. Kitaguchi H and Kumakura H. MRS Bulletin: Advances in Bi-Based High-Tc Superconducting Tapes and Wires 26 (2001) 121.         [ Links ]

12. T. J. Arndt, A. Aubele, H. Krauth, M. Munz, B. Sailer, and A. Szulczyk, IEEE Transactions on Applied Superconductivity 13 (2003) 3030.         [ Links ]

13. W. Hassenzahl, et al. Electric power applications of superconductivity. Proceedings of the IEEE. Special Issue on Applications of Superconductivity 92 (2004) 1655.         [ Links ]

14. V. F. Shamray, A. B. Mikhailova, and A. V. Mitin, Crystallography Reports 54 (2009) 584.         [ Links ]

15. A. Sequeira A, J.V. Yakhmi, R.M. Iyer, H. Rajagopal and P.V.P.S.S. Sastry, Physica C 167 (1990) 291.         [ Links ]

16. W. Carrillo-Cabrera and W. Gopel, Phys. C 161 (1989) 373.         [ Links ]

17. X. Zhu, S. Feng. J. Zhang, G. Lu, K. Chen, K. Wu, Z. Gan, Modern Phys. Lett. B 3 (1989) 707.         [ Links ]

18. J. Yang, C. Ye, B. Zhang, J. Li, J. Kang, Y. Ding, Y. He, J. Zhang, A. He, J. Xiang, Modern Physics Letters B 4 (1990) 791.         [ Links ]

19. G. Miehe, T. Vogt, H. Fuess and M. Wilhelm, Phys. C 171 (1990) 339.         [ Links ]

20. E. Giannini, R. Gladyshevskii, N. Clayton, N. Musolino, V. Garnier, A. Piriou, R. Flukiger, Current Applied Physics 8 (2008) 115.         [ Links ]

21. D. L. Feng et al., Phys. Rev. Lett. 88 (2002) 107001.         [ Links ]

22. H. Matsui et. al., Phys. Rev. B 67 (2003) 060501.         [ Links ]

23. S. Ideta et al., Phys. Rev. Lett. 104 (2010) 227001.         [ Links ]

24. S. Ideta et al., Phys. C 470 (2010) S14.         [ Links ]

25. O. K. Andersen, Phys.Rev.B 12 (1975) 3060.         [ Links ]

26. P. Blaha, K. Schwars, G.K.H. Madsen, D. Kvasnicka, and J. Luitz, WlEN2K:Full Potential-Linearized Augmented Plane waves and Local Orbital Programs for Calculating Crystal Properties, edited by K. Schwars, (Vienna University of Technology, Austria, 2001).         [ Links ]

27. L. F. Mattheiss, Phys. Rev. Lett. 58 (1987) 1028.         [ Links ]

28. L. F. Mattheiss and D. R. Hamann, Solid State Commun. 63 (1987) 395.         [ Links ]

29. S. Massidda, J. Yu, A. J. Freeman, and D. D. Koelling, Phys. Lett. A 122 (1987) 198.         [ Links ]

30. D. R. Hamann and L. F. Mattheiss, Phys. Rev. B 38 (1988) 5138.         [ Links ]

31. M. Tanaka et al., Nature 339 (1989) 691.         [ Links ]

32. A. Damascelli et al., Rev. Mod. Phys. 75 (2003) 473.         [ Links ]

33. M. Mori, T. Tohyama, and S. Maekawa, Phys. Rev. B 66 (2002) 064502.         [ Links ]

34. V. Bellini, F. Manghi, T. Thonhauser and C. Ambrosch-Draxl, Phys.Rev.B 69 (2004) 184508.         [ Links ]

35. Hsin Lin et al., Phys. Rev. Lett. 96 (2006) 097001.         [ Links ]