First-principles study of electronic structure of Bi$_2$Sr$_2$Ca$_2$Cu$_3$O$_{10}$

Abstract

We present for the first time the electronic structure calculation of Bi$_2$Sr$_2$Ca$_2$Cu$_3$O$_{10}$ 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, 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 Bi$_2$Sr$_2$Ca$_2$Cu$_3$O$_{10}$ compound show a transition to the superconducting state at $\sim110$ K and to date there are no reports in the literature of its electronic structure known to us.