Electronic and thermal properties of Biphenyl molecules

摘要: Transport properties of a single Biphenyl molecule coupled to two contacts are studied. We characterise this system by tight-binding Hamiltonian. Based on the non-equilibrium Green’s functions technique with Landauer–Buttiker formalism transmission probability, current and thermoelectrical power obtained. show that may have semiconductor behavior for certain values electrode–molecule–electrode junctions different angle between rings molecule. In addition, density states (DOS) is calculated compare bandwidths profile probability. DOS allows us explain asymmetric shape respect molecule’s Fermi energy.