First-principles calculations of diffusion constants in silicon
Peter E. Bloechl, C.G. Van de Walle, et al.
Symposium on Process Physics and Modeling in Semiconductor Technology 1990
Experiments and theory have so far demonstrated that single molecules can form the core of a two-terminal device. Here we report first-principles calculations of transport through a benzene-1, 4-dithiolate molecule with a third capacitive terminal (gate). We find that the resistance of the molecule rises from its zero-gate-bias value to a value roughly equal to the quantum of resistance (12.9 kΩ) when resonant tunneling through the π* antibonding orbitals occurs. © 2000 American Institute of Physics.
Peter E. Bloechl, C.G. Van de Walle, et al.
Symposium on Process Physics and Modeling in Semiconductor Technology 1990
N.D. Lang
Physical Review Letters
N.D. Lang, A.R. Williams
Physical Review B
S.T. Pantelides, N.O. Lipari, et al.
Solid State Communications