4.6 Article

Ambient-pressure Dirac electron system in the quasi-two-dimensional molecular conductor α-(BETS)2I3

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First-principles study of the effective Hamiltonian for Dirac fermions with spin-orbit coupling in two-dimensional molecular conductor α-(BETS)2I3

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Summary: Using first-principles density-functional theory calculations, Dirac electrons in quasi-two-dimensional molecular conductor alpha-(BETS)2I3 were characterized at a low temperature of 30 K. Spin-orbit coupling resulted in an exotic insulating state with an indirect band gap, and an effective Hamiltonian was developed to reproduce the DFT band structure.

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