Abstract
We have fit our first principles LAPW band structure results for the high Tc superconductor La2CuO4 to a tight-binding Hamiltonian that contains s, p, and d interactions from the three components of these materials. Our fit reproduces very accurately the 17 lower bands of this material and especially the Fermi surface.
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References
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ONT Postdoctoral Fellowship Program
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Papaconstantopoulos, D.A., Deweert, M.J. & Pickett, W.E. Tight-Binding Study of the Electronic Structure of the high Temperature Superconductor La2CuO4. MRS Online Proceedings Library 99, 447–450 (1987). https://doi.org/10.1557/PROC-99-447
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DOI: https://doi.org/10.1557/PROC-99-447