Group three nitride clusters as promising components for nanoelectronics

Abstract

The real use of nanoelectronics with organic molecules as a replacement of conventional silicon technology faces many challenges because of complications in synthesis and fabrication processes, short stability, junction breakdown, large fabrication costs and environmental influences. The present work aims at proposing a novel alternative by studying the potential of ‘inorganic analogues of the organic components' in molecular electronics. In comparison to their organic counterparts, the higher structural rigidity in inorganic components provides a possible added value in being less susceptible to environmental influences. The structure as well as electronic and transport properties of group three nitride analogues of benzene molecules, namely, the X3N3H6 (X = B, Al and Ga) clusters are analysed and compared with benzene and with melamine, a graphitic carbon nitride (g-C3N4) material. A detailed density functional theory (DFT) investigation is performed for the structural and electronic properties, whereas a combined DFT and non-equilibrium Green's function approach is used for the transport properties. The electron delocalisation with overlapping electronic states, the influence of magnetic fields and favourable quantum chemical properties of Ga3N3H6 clusters make the man outstanding electronic component for future nanoelectronics applications.