تقرير
Edge-sharing quasi-one-dimensional cuprate fragments in optimally substituted Cu/Pb apatite
| العنوان: | Edge-sharing quasi-one-dimensional cuprate fragments in optimally substituted Cu/Pb apatite |
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| المؤلفون: | Inzani, Katherine, Vinson, John, Griffin, Sinéad M. |
| سنة النشر: | 2023 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Strongly Correlated Electrons, Condensed Matter - Materials Science, Condensed Matter - Superconductivity |
| الوصف: | The flurry of theoretical and experimental studies following the report of room-temperature superconductivity at ambient pressure in Cu-substituted lead apatite Cu$_x$Pb$_{10-x}$(PO$_4$)$_6$O (`LK99') have explored whether and how this system might host strongly correlated physics including superconductivity. While first-principles calculations at low doping ($x\approx1$) have indicated a Cu-$d^{9}$ configuration coordinated with oxygen giving rise to isolated, correlated bands, its other structural, electronic, and magnetic properties diverge significantly from those of other known cuprate systems. Here we find that higher densities of ordered Cu substitutions can result in the formation of contiguous edge-sharing Cu-O chains, akin to those found in some members of the cuprate superconductor family. Interestingly, while such quasi-one-dimensional edge-sharing chains are typically ferromagnetically coupled along the chain, we find an antiferromagnetic ground-state magnetic order for our cuprate fragments which is in proximity to a ferromagnetic quantum critical point. This is a result of the elongated Cu-Cu distance in Cu-substituted apatite that leads to larger Cu-O-Cu angles supporting antiferromagnetism, which we demonstrate to be controllable by strain. Finally, our electronic structure calculations confirm the low-dimensional nature of the system and show that the bandwidth is driven by the Cu-O plaquette connectivity, resulting in an intermediate correlated regime. Comment: 6 pages plus Supplemental. Additional citations in revised version |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2312.14236 |
| رقم الأكسشن: | edsarx.2312.14236 |
| قاعدة البيانات: | arXiv |
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