论文标题
PEIERL失真驱动的多轨源是电荷密度波的多轨,在未源源不断的无限层镍中
Peierls distortion driven multi-orbital origin of charge density waves in the undoped infinite-layer nickelate
论文作者
论文摘要
了解铜料和镍酸盐超导体之间的相似性和差异正在引起当前的浓厚兴趣。最近在$不满足的$ Infinite镀金中观察到了相互竞争的费用,与$未居状的$ cuprates形成鲜明对比的是,$未祖的$酸辣椒表现出强大的抗fiferromagnetic绝缘地面状态。驱动这些差异的微观机制尚不清楚。在这里,使用深入的第一原理和基于多体理论的建模,我们表明镍家族的母体lanio $ _2 $的母体化合物与相应的实验发现符合预测波形的电荷密度波(CDW)基态。 CDW基态显示与多轨PEIERLS失真连接。我们的研究表明,电子 - 光子偶联效应在无限层镍盐中的关键作用。
Understanding similarities and differences between the cuprate and nickelate superconductors is drawing intense current interest. Competing charge orders have been observed recently in the $undoped$ infinite-layer nickelates in sharp contrast to the $undoped$ cuprates which exhibit robust antiferromagnetic insulating ground states. The microscopic mechanisms driving these differences remain unclear. Here, using in-depth first-principles and many-body theory based modeling, we show that the parent compound of the nickelate family, LaNiO$_2$, hosts a charge density wave (CDW) ground state with the predicted wavevectors in accord with the corresponding experimental findings. The CDW ground state is shown to be connected to a multi-orbital Peierls distortion. Our study points to the key role of electron-phonon coupling effects in the infinite-layer nickelates.