Three-Dimensional Topological Semimetal/Insulator States in α-Type Organic Conductors with Interlayer Spin-Orbit Interaction

We have studied the tight-binding model for the α-type layered organic conductors, α-(ET)2I3 and α-(BETS)2I3, with a uniform interlayer coupling accompanied by spin-orbit interaction originating from the I3- anion potential. The model preserves the time reversal and inversion symmetries. In α-(ET)2I3, the interlayer spin-orbit coupling realizes the experimentally suggested Dirac semimetal state with inversion symmetry. In contrast, the inversion breaking in interlayer hoppings realizes the Weyl semimetal state without spin-orbit coupling. In α-(BETS)2I3, the proposed strong topological insulator is hardly realized with inversion symmetry.