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Molecular modulation of Schottky barrier height in metal-molecule-silicon diodes: Capacitance and simulation results
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Image of FIG. 1.
FIG. 1.

Schematic of MMS device used for capacitance measurements and molecular modifiers used in this experiment. (B-benz), (D-benz), (M-benz), (N-benz), 2M 4N-benz.

Image of FIG. 2.
FIG. 2.

(a) Typical curves for gold/molecule/ Si devices and (b) typical vs characteristic and linear fit of a representative MMS device.

Image of FIG. 3.
FIG. 3.

Measured Schottky barrier height as a function of isolated molecule dipole moment for a series of MMS diodes.

Image of FIG. 4.
FIG. 4.

Schematic of structure used to calculate MMS molecular-electronic properties. is the spacing between the topmost heavy atom on the molecule and the gold cluster.

Image of FIG. 5.
FIG. 5.

Calculated potential profiles across molecule for (a) molecule/gold spacing and (b) molecule/gold spacing. The legend in (a) is applicable to both plots.

Image of FIG. 6.
FIG. 6.

Calculated potential drop across molecule as a function of isolated molecule dipole.

Image of FIG. 7.
FIG. 7.

(a) Schematic of the charge distribution and resulting potential profile in a MMS device and (b) flowchart illustrating self-consistent Poisson solution methodology for MMS diodes. is the electric field, is the permittivity, and is a weighting factor that is used for convergence purposes. The molecular charge density, interface trap charge, and semiconductor depletion charge can all be incorporated in .

Image of FIG. 8.
FIG. 8.

Band diagram of MMS device. The actual barrier height differs from the built-in potential because of the change in potential across the molecular layer due to molecular capacitive effects and molecular dipole effects and the change in potential across the first few atomic layers at the Si surface due to interface charge .

Image of FIG. 9.
FIG. 9.

Representative simulated curves for MMS devices. The discreteness in the curves is due to the simulation grid and the presence of large charge densities varying over small distances.

Image of FIG. 10.
FIG. 10.

Effect of interface state density on apparent (a) barrier height and (b) doping density. The legend in (b) applies to both graphs.

Image of FIG. 11.
FIG. 11.

Comparison of barrier height as measured by and calculated changes in Si surface potential.


Generic image for table
Table I.

Doping densities and Schottky barrier heights for gold/molecule/ Si devices as determined from measurements.

Generic image for table
Table II.

Calculated dipole moments (Debye) perpendicular to the Si surface for isolated molecular species used in this study assuming that the molecules orient perpendicular to the surface.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Molecular modulation of Schottky barrier height in metal-molecule-silicon diodes: Capacitance and simulation results