论文标题
高阶Ruddlesden-Popper镍的电子结构
Electronic structure of higher-order Ruddlesden-Popper nickelates
论文作者
论文摘要
我们分析了最近合成的高阶镍粉ruddlesden-popper pass la $ _ {n+1} $ ni $ _n $ o $ $ _ {3n+1} $（$ n = 4-6 $）的电子结构。对于所有材料，我们的结果显示出较大的holelike费米表面，$ d_ {x^2-y^2} $角色与最佳孔掺杂的酸粉菜非常相似。对于$ n $的较高值，出现$ d_ {z^2} $轨道字符的额外的非加工频带。这些方面强调，这个Ruddlesden-Popper系列可以通过调整其尺寸来改变镍的电子接地状态。凭借与铜矿的相似性和差异，这种新的材料家族可以潜在地阐明基于铜的氧化物的物理。
We analyze the electronic structure of the recently synthesized higher-order nickelate Ruddlesden-Popper phases La$_{n+1}$Ni$_n$O$_{3n+1}$ ($n=4-6$) using first-principles calculations. For all materials, our results show large holelike Fermi surfaces with $d_{x^2-y^2}$ character that closely resemble those of optimally hole-doped cuprates. For higher values of $n$, extra non-cuprate-like bands of $d_{z^2}$ orbital character appear. These aspects highlight that this Ruddlesden-Popper series can provide a means to modify the electronic ground states of nickelates by tuning their dimensionality. With their similarities and differences to the cuprates, this new family of materials can potentially shed light on the physics of copper-based oxides.
