We determine the conditions in which negative differential resistance (NDR) appears in the C60-based molecular device of [Phys. Rev. Lett. {\bf 100}, 036807 (2008)] by means of ab-initio electron-transport simulations. Our calculations grant access to bias-dependent intrinsic properties of the molecular device, such as electronic levels and their partial widths. We show that these quantities depend on the molecule-molecule and molecule-electrode interactions of the device. Hence, NDR can be tuned by modifying the bias behavior of levels and widths using both types of interactions.
@article{arxiv.1101.3714,
title = {Negative differential resistance in scanning tunneling microscopy: simulations on C$_{60}$-based molecular overlayers},
author = {Frederico D. Novaes and Manuel Cobian and Alberto Garcia and Pablo Ordejon and Hiromu Ueba and Nicolas Lorente},
journal= {arXiv preprint arXiv:1101.3714},
year = {2015}
}