Abstract
This study was conducted to consider the electronic transport properties of the \(N_{36} B_{36}\) molecule, using the Green's function method based on the GW model. The number, width, height and position of density of state peaks are dramatically dependent on the correlation effect, the contact type and symmetric properties of the molecule. Also, negative differential resistance behavior was observed for all modes in voltages 4.4 V (− 4.5 V) to 4.7 V (− 4.7 V). The \(N_{36} B_{36}\) molecule behaves as an insulator where the total current becomes zero for the same values of the gate voltages but acts as a metal at other values. Therefore, the physical picture of electron conduction may change in \(N_{36} B_{36}\) —based molecular devices and it could behave as a semiconductor.
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