Pb$_{10-x}$Cu$_x$(PO$_4$)$_6$O: a Mott or charge transfer insulator in need of further doping for (super)conductivity

التفاصيل البيبلوغرافية
العنوان: Pb$_{10-x}$Cu$_x$(PO$_4$)$_6$O: a Mott or charge transfer insulator in need of further doping for (super)conductivity
المؤلفون: Si, Liang, Wallerberger, Markus, Smolyanyuk, Andriy, di Cataldo, Simone, Tomczak, Jan M., Held, Karsten
سنة النشر: 2023
المجموعة: Condensed Matter
مصطلحات موضوعية: Condensed Matter - Superconductivity, Condensed Matter - Materials Science, Condensed Matter - Strongly Correlated Electrons
الوصف: We briefly review the status quo of research on the putative superconductor Pb$_9$Cu(PO$_4$)$_6$O also known as LK-99. Further, we provide {\em ab initio} derived tight-binding parameters for a two- and five-band model, and solve these in dynamical-mean-field theory. The ratio interaction-to-bandwidth 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.
Comment: 7 figures, 9 pages, 2 tables. Version 2 is the same as version 1 except for additional DMFT and DFT+U results in Secs. IV and V
نوع الوثيقة: Working Paper
URL الوصول: http://arxiv.org/abs/2308.04427
رقم الأكسشن: edsarx.2308.04427
قاعدة البيانات: arXiv