Quasiparticle self-consistent GW study of cuprates: electronic structure, model parameters, and the two-band theory for T-c

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Despite decades of progress, an understanding of unconventional superconductivity still remains elusive. An important open question is about the material dependence of the superconducting properties. Using the quasiparticle self-consistent GW method, we re-examine the electronic structure of copper oxide high-T-c materials. We show that QSGW captures several important features, distinctive from the conventional LDA results. The energy level splitting between d(x2-y2) and d(3z2-r2) is significantly enlarged and the van Hove singularity point is lowered. The calculated results compare better than LDA with recent experimental results from resonant inelastic xray scattering and angle resolved photoemission experiments. This agreement with the experiments supports the previously suggested two-band theory for the material dependence of the superconducting transition temperature, T-c.
Publisher
NATURE PUBLISHING GROUP
Issue Date
2015-07
Language
English
Article Type
Article
Citation

SCIENTIFIC REPORTS, v.5, pp.12050

ISSN
2045-2322
DOI
10.1038/srep12050
URI
http://hdl.handle.net/10203/200669
Appears in Collection
PH-Journal Papers(저널논문)
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