First-principles study of the effective Hamiltonian for Dirac fermions with spin-orbit coupling in two-dimensional molecular conductor $$\alpha $$-(BETS)$$_2 \hbox {I}_3$$
Takao Tsumuraya, Yoshikazu Suzumura
Topics & Concepts
Hamiltonian (control theory)Delocalized electronPhysicsWannier functionDensity functional theoryCondensed matter physicsDirac fermionAtomic orbitalQuantum tunnellingConductorElectronTight bindingIntermolecular forceQuantum mechanicsFermionElectronic structureMaterials scienceMoleculeMathematical optimizationComposite materialMathematicsOrganic and Molecular Conductors ResearchMolecular Junctions and NanostructuresQuantum and electron transport phenomena