论文标题
寡核（Indenoindenes）中的磁挫败感和分数化
Magnetic frustration and fractionalization in oligo(indenoindenes)
论文作者
论文摘要
聚（indenoindenes）是π共轭的梯子碳聚合物，其交替的六角形和五角大龙在开放式壳极限内为每个五元环带一个不成对的电子。在这里，我们研究了有限的寡素（Indenoindenes）（oinin）中存在的主要磁相互作用，将两个不同类别的三个异构体类别的六个可能的异构体分类。一个类可以通过沮丧的S = 1/2的海森堡链合理化，邻居站点之间的铁磁相互作用与下一个邻居之间的反铁磁相互作用之间的铁磁相互作用。另一个类的特征是更琐碎的抗铁磁序。使用多个理论，我们进一步表明，一个异构体的基态是铁磁二聚体的价值键（vbs）（s = 1）。这与Affleck-Kennedy-Lieb-Tasaki（AKLT）模型的拓扑相似，该模型已知在边缘显示分数S = 1/2个状态。
Poly(indenoindenes) are π-conjugated ladder carbon polymers with alternating hexagons and pentagons hosting one unpaired electron for each five-membered ring in the open-shell limit. Here we study the main magnetic interactions that are present in finite oligo(indenoindenes) (OInIn), classifying the six possible isomers in two different classes of three isomers each. One class can be rationalized by frustrated S = 1/2 Heisenberg chains, with ferromagnetic interactions between neighbour sites and antiferromagnetic interactions between the next neighbours. The other class is characterized by the more trivial antiferromagnetic order. Employing several levels of theory we further show that the ground state of one of the isomers is a valence-bond solid (VBS) of ferromagnetic dimers (S = 1). This is topologically similar to that of the Affleck-Kennedy-Lieb-Tasaki (AKLT) model, which is known to show fractional S = 1/2 states at the edges.
