<div class="csl-bib-body">
<div class="csl-entry">Si, L., Wallerberger, M., Smolyanyuk, A., di Cataldo, S., Tomczak, J. M., & Held, K. (2024). Pb₁₀₋ₓ Cuₓ(PO₄)₆O: a Mott or charge transfer insulator in need of further doping for (super)conductivity. <i>Journal of Physics: Condensed Matter</i>, <i>36</i>(6), Article 065601. https://doi.org/10.1088/1361-648X/ad0673</div>
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dc.identifier.issn
0953-8984
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/191995
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dc.description.abstract
We briefly review the status quo of research on the putative superconductor Pb₉Cu(PO₄)₆O also known as LK-99. Further, we provideab initioderived tight-binding parameters for a two- and five-band model, and solve these in dynamical-mean-field theory. The interaction-to-bandwidth ratio makes LK-99 a Mott or charge transfer insulator. Electron or hole doping (which is different from substituting Pb by Cu and thus differs from LK-99) is required to make it metallic and potentially superconducting.
en
dc.description.sponsorship
FWF - Österr. Wissenschaftsfonds
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dc.description.sponsorship
FWF - Österr. Wissenschaftsfonds
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dc.description.sponsorship
FWF - Österr. Wissenschaftsfonds
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dc.description.sponsorship
FWF - Österr. Wissenschaftsfonds
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dc.description.sponsorship
FWF - Österr. Wissenschaftsfonds
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dc.language.iso
en
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dc.publisher
IOP PUBLISHING LTD
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dc.relation.ispartof
Journal of Physics: Condensed Matter
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dc.rights.uri
http://creativecommons.org/licenses/by/4.0/
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dc.subject
density functional theory
en
dc.subject
dynamical mean-field theory
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dc.subject
high temperature superconductor
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dc.subject
strongly correlated electron systems
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dc.subject
superconductivtiy
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dc.subject
tight binding method
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dc.subject
wannier function
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dc.title
Pb₁₀₋ₓ Cuₓ(PO₄)₆O: a Mott or charge transfer insulator in need of further doping for (super)conductivity
