Dear siesta users I am using transiesta code to get the I-V characteristics of Armchair MoS2 nanoribbon as scattering (with 8 unit cells) and electrode material. All the calculations (electrode, transiesta and tbtrans) run perfectly for the voltage range of 0-2V with good SCF convergence. However, in all voltages I get nearly zero transmission in the bias window and consequently very low current (about 10^-16 A). Since my armchair MoS2 NR is a semiconductor with the bandgap of about 0.5 eV I expected that current should start to increase exponentially from 0.5 V bias and reach the order of micro Ampere. I have attached .fdf files of my scattering and electrodes.
I would appreciate if someone could help me to find the problem. Best regards Samaneh Soleimani-Amiri
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
