Affiliation:
1. Jiangxi University of Technology, Nanchang 330098, P. R. China
2. Department of Science, Nanchang Teachers College, Nanchang 330029, P. R. China
Abstract
In this paper, we have studied the electronic transport behavior of the system formed by the Al2N2 cluster and the Al(100)-3 × 3 electrodes by using the first principle based on nonequilibrium Green’s function (NEGF). The total energies and the equilibrium conductances of the system are calculated at different distances between the clusters and the electrodes, and the results show that the equilibrium conductance is 0.1335 G0 and the total energy is the lowest at d = 2.8 Å (d means the distance between the Al2N2 cluster and the electrodes). When d increases, the equilibrium conductance decreases. In the bias voltage range of [−1 V, 1 V], the system has the electrical characteristics similar to the metal when the d is 2.0, 2.4, 2.8, 3.2 and 3.5 Å.
Publisher
World Scientific Pub Co Pte Lt
Subject
Condensed Matter Physics,Statistical and Nonlinear Physics