Negative differential resistance in an(8,0)carbon/boron nitride nanotube heterojunction

Using the method combined non-equilibrium Green’s function with density functional theory,the electronic transport properties of an（8,0） carbon/boron nitride nanotube heterojunction coupled to Au electrodes were investigated.In the current voltage characteristic of the heterojunction,negative differential resistance was found under positive and negative bias,which is the variation of the localization for corresponding molecular orbital caused by the applied bias voltage.These results are meaningful to modeling and simulating on related electronic devices.

Negative differential resistance in a molecular junction of carbon nanotube and benzene

We propose a novel molecular junction with single-walled carbon nanotubes as electrodes bridged by a benzene molecule, in which the electrodes are saturated by different terminations (C-, H- and N-). It is found that the different terminations at the carbon nanotube ends strongly affect the electronic transport properties of the junction. The current-voltage (I-V) curve of the N-terminated carbon nanotube junction shows a more striking nonlinear feature than that of the C- and H-terminated junctions at small bias. Moreover, the negative differential resistance behaviors can be observed significantly in the N-terminated carbon nanotube junction, whereas not in the other two cases.

Negative differential resistance behaviors in OPE derivatives combined C_(60) molecular junctions modulated with side groups

By applying non-equilibrium Green's functions (NEGF) in combination with the density functional theory (DFT), we investigate the electronic transport properties of molecular junctions constructed by OPE derivatives with different side groups combined C60 molecules. The results show that the side groups play an important role in the properties of electron transport. Negative differential resistance (NDR) is observed in such devices. Especially for the molecule with electron-donating group ( OCH3), two NDR appear at different bias voltage regions. And the mechanism is proposed for the NDR behavior, owing to the shift of the molecular orbitals caused by the change in molecule charge.

Electronic transport properties of the armchair silicon carbide nanotube

The electronic transport properties of the armchair silicon carbide nanotube（SiCNT） are investigated by using the combined nonequilibrium Green＇s function method with density functional theory.In the equilibrium transmission spectrum of the nanotube,a transmission valley of about 2.12 eV is discovered around Fermi energy,which means that the nanotube is a wide band gap semiconductor and consistent with results of first principle calculations. More important,negative differential resistance is found in its current voltage characteristic.This phenomenon originates from the variation of density of states caused by applied bias voltage.These investigations are meaningful to modeling and simulation in silicon carbide nanotube electronic devices.