Band Structure Of YBCO

Crystal Structure of YBCO

Band Structure of YBCO using LDA method

Breaking down of the band structure (LMTO)

Band structure for Kz = 0 along the triangle ( Kx a/ π, Ky b/ π) Consider only Cu – d and O – p orbital Band structure consisting: anti-bonding pdσ chain anti-bonding pdσ even chain anti-bonding pdσ odd chain

Band structure for Kz = π/c along the triangle ( Kx a/ π, Ky b/π)

c, e, g, i : considering odd linear combinations. d, f, h, j : considering even linear combinations. e, f : removing the interaction of Cu zx and Cu zy and O z orbital. i, j : removing Cu zx and Cu zy and retained only the O z orbital.

Conclusion Most important plane in YBCO is CuO plane near to Y.( no band gap)