First-principles study of electronic structure of $Bi_2Sr_2Ca_2Cu_3O_{10}$

Abstract

We present for the first time the band structure calculation of $Bi_2Sr_2Ca_2Cu_3O_{10}$ compound in the tetragonal structure (space group $I4/mmm$). We used the Local Density Approximation (LDA) as in the Wien2k code. We analyze in detail the band structure and the Fermi surface (FS). Our results are in very good agreement with recent experiments. The FS shows the feature known as the Bi-O pocket problem which we associate with the interaction of the O3 atoms with the Cu2-O2 and Bi-O4 planes. Ceramic $Bi_2Sr_2Ca_2Cu_3O_{10}$ stabilized with Pb has been reported as a superconductor with $T_c \sim 100$. CdS microparticles were embedded into the ceramic $Bi_2Sr_2Ca_2Cu_3O_{10}$. The composite did show a superconducting phase transition at a lower $T_c \sim 70 K$. At even lower temperatures re-entrant behavior was observed. The sample regain the superconducting state at $\sim 47 K$ [arXiv:1101.0277 [cond-mat.supr-con]]. This effect is not observe in the ceramic alone. This calculation is useful per ser and also can contribute to a better understanding of this particular re-entrant behavior.