Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19.

ABSTRACT: We combined the group theory and data mining approach within the Organic Materials Database that leads to the prediction of stable Dirac-point nodes within the electronic band structure of three-dimensional organic crystals. We find a particular space group P2₁2₁2₁ (#19) that is conducive to the Dirac nodes formation. We prove that nodes are a consequence of the orthorhombic crystal structure. Within the electronic band structure, two different kinds of nodes can be distinguished: 8-fold degenerate Dirac nodes protected by the crystalline symmetry and 4-fold degenerate Dirac nodes protected by band topology. Mining the Organic Materials Database, we present band structure calculations and symmetry analysis for 6 previously synthesized organic materials. In

SUBMITTER: Geilhufe RM 

PROVIDER: S-EPMC5544778 | biostudies-literature | 2017 Aug

REPOSITORIES: biostudies-literature