Edge-sharing quasi-one-dimensional cuprate fragments in optimally substituted Cu/Pb apatite
https://arxiv.org/abs/2312.14236Edge-sharing quasi-one-dimensional cuprate fragments in optimally substituted Cu/Pb apatiteThe 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 ($xapprox1$) 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.arxiv.org
https://arxiv.org/abs/2312.14236Edge-sharing quasi-one-dimensional cuprate fragments in optimally substituted Cu/Pb apatiteThe 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 ($xapprox1$) 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.arxiv.org
흠... 제목만 봐선 Lk99같이 '일차원 구리/납-아파타이트'에 관한 이야기 같은데 내용은 어떨지...
"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." 석배인듯?!
약간 갸우뚱은 PCPOSOS가 아니라 PCPOO (LK-99) 를 대상으로 한 연구
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. 대석배인듯...
Calculated non-spin-polarized electronic band structures for 이라 명기 되어있으니 스핀 오비탈 계산안한듯 훅들갑 ㄴㄴ
그래도 언제나 고생많네 개추