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Band Structure Of YBCO
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Crystal Structure of YBCO
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Band Structure of YBCO using LDA method
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Breaking down of the band structure (LMTO)
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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
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Band structure for Kz = π/c along the triangle ( Kx a/ π, Ky b/π)
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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.
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Conclusion Most important plane in YBCO is CuO plane near to Y.( no band gap)
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