Pb10-x Cu x (PO4)6O: a Mott or charge transfer insulator in need of further doping for (super)conductivity

被引：13
|
作者：
Si, Liang [1 ,2 ]
Wallerberger, Markus [2 ]
Smolyanyuk, Andriy [2 ]
di Cataldo, Simone [2 ]
Tomczak, Jan M. [2 ,3 ]
Held, Karsten [2 ]
机构：
[1] Northwest Univ, Sch Phys, Xian 710127, Peoples R China
[2] TU Wien, Inst Solid State Phys, A-1040 Vienna, Austria
[3] Kings Coll London, Dept Phys, London WC2R 2LS, England
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 2024年 / 36卷 / 06期
基金：
奥地利科学基金会;
关键词：
superconductivtiy; strongly correlated electron systems; high temperature superconductor; dynamical mean-field theory; density functional theory; tight binding method; wannier function; DYNAMICS;
D O I：
10.1088/1361-648X/ad0673
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
We briefly review the status quo of research on the putative superconductor Pb9Cu(PO4)(6)O also known as LK-99. Further, we provide ab initio derived 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.
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页数：11
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