Impact of Defects on Electronic Transmission Properties and Spin Transport in Monolayer Silicene

Author(s)

Subhechcha Banerjee, Monalisa Ghosh, Arnab Mukhopadhyay, Sahid Iqbal Mallick, Lopamudra Banerjee

Author affiliation

School of VLSI Technology, Indian Institute of Engineering Science and Technology, Shibpur, India

Abstract

In this work, we report an ab-initio study on the effect of lattice defects on the spin polarized electronic transmission in Armchair and Zigzag type Silicene Nanoribbons (ASiNR and ZSiNR). We have incorporated various defects such as edge roughness, single vacancy and Stone-Wales defects, and studied the transmission in ASiNR super-cell of dimensions (1x18x20)Å and that in ZSiNR super-cell of dimensions (1x16x19)Å using density functional theory (DFT) – non equilibrium green’s function (NEGF) under a small bias. The results show a decrease in the difference (up – down) in spin transmission with increasing surface roughness in both ASiNR and ZSiNR. The total transmission decreases, by approximately 35% in ASiNR and 60% in ZSiNR for single vacancy defect compared to pristine.

Keywords

Density functional theory; spin polarized; transmission spectrum; silicene; defects; projected device density of dtates