论文标题
环境压力分子狄拉克电子系统的紧密结合模型
A tight-binding model of an ambient-pressure molecular Dirac electron system
论文作者
论文摘要
通过得出一个紧密结合模型，我们演示了在单个组分分子导体[pt（dmtd）$ _ 2 $]中形成dirac点的淋巴结线的机制。社区。 {\ bfseries 55}，3327（2019）]，由HOMO和LUMO组成。节点线作为两个表面的交点获得，其中一个表面对应于Homo-lumo带交叉，另一个是由于它们不同的对称性而消失的Homo-Lumo耦合。后一种特性对于分子导体中的狄拉克电子至关重要。根据八个装饰（时间逆转不变动量），讨论了开放淋巴结线的性质。
By deriving a tight-binding model, we demonstrate a mechanism of forming a nodal line of Dirac points in a single-component molecular conductor [Pt(dmtd)$_2$] [Zhou {\it et al.}, Chem. Commun. {\bfseries 55}, 3327 (2019)], consisting of HOMO and LUMO. The nodal line is obtained as the intersection of two surfaces, where one corresponds to the HOMO-LUMO band crossing and another is vanishing of the HOMO-LUMO couplings due to their different symmetries. The latter property is essential for the Dirac electron in molecular conductors. The nature of the open nodal line is discussed in terms of the parity of the wavefunctions at eight TRIMs (time reversal invariant momenta).
