A tight-binding model of an ambient-pressure molecular Dirac electron system

Abstract

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).

12 pages, 7 figures

References in corpus (1)

• Topological Insulators with Inversion Symmetry

Cited by in corpus (5)

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• Tight-Binding Model and Electronic Property of Dirac Nodal Line in Single-Component Molecular Conductor [Pt(dmdt)${}_2$]
• Anomalous conductivity of two-dimensional Dirac electrons in organic conductor under pressures
• Nodal-line semimetal HMTSF-TCNQ: Anomalous orbital diamagnetism and charge density wave
• Fragment-orbital-dependent spin fluctuations in the single-component molecular conductor [Ni(dmdt)${}_2$]