Design of Molecular Positive Electronic Transition Device

Abstract

This work presents an investigation on the electronic transport of two devices based on Zigzag Phagraphene Nanoribbons of different widths (ZPGNR1 and ZPGNR2) with Nitrogen-doped edge terminations based on DFT-NEGF methodology using TranSIESTA code. Our results show different transport regimes: (i) ZPGNR1 device exhibits metallic behavior and metal-semiconductor transition when the bias voltage is increased, with symmetry on the eigenchannels (ECs) and the field-effect transistor (FET) signature; and (ii) ZPGNR2 device presents topological insulator (TI) behavior and two operation windows, the first with FET signature characterized by the TI-semiconductor transition and the second with resonant tunnel diode (RTD) signature with broken ECs symmetry due to potential barrier caused by N-doping at the edge and the central region is preferential transport path for the device, inherent to TI systems, generating a negative differential resistance (NDR). Another alternative for ZPGNR2 is to consider a current limiter device Molecular Positive Electronic Transition (MPET)-like.