D.B. Laks, G.F. Neumark, et al.
Physical Review B
We report first-principles calculations of current-induced forces in molecular wires for which experiments are available. We investigate, as an example, the effect of current-induced forces on a benzene molecule connected to two bulk electrodes via sulfur end groups. We find that the molecule twists around an axis perpendicular to its plane and undergoes a “breathing” oscillation at resonant tunneling via antibonding states. However, current-induced forces do not substantially affect the absolute value of the current for biases as high as 5 V, suggesting that molecular wires can operate at very large electric fields without current-induced breakdown. © 2002 The American Physical Society.
D.B. Laks, G.F. Neumark, et al.
Physical Review B
M. Di Ventra, S.T. Pantelides, et al.
Applied Physics Letters
Chris G. Van de Walle, Y. Bar-Yam, et al.
Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films
S.T. Pantelides
ICDS 1984