Reaction paths of phosphine dissociation on silicon (001).

Using density functional theory and guided by extensive scanning tunneling microscopy (STM) image data, we formulate a detailed mechanism for the dissociation of phosphine (PH3) molecules on the Si(001) surface at room temperature. We distinguish between a main sequence of dissociation that involves PH2+H, PH+2H, and P+3H as observable intermediates, and a secondary sequence that gives rise to PH+H, P+2H, and isolated phosphorus adatoms. The latter sequence arises because PH2 fragments are surprisingly mobile on Si(001) and can diffuse away from the third hydrogen atom that makes up the PH3 stoichiometry. Our calculated activation energies describe the competition between diffusion and dissociation pathways and hence provide a comprehensive model for the numerous adsorbate species observed in STM experiments.

Ohm's law survives to the atomic scale.

As silicon electronics approaches the atomic scale, interconnects and circuitry become comparable in size to the active device components. Maintaining low electrical resistivity at this scale is challenging because of the presence of confining surfaces and interfaces. We report on the fabrication of wires in silicon--only one atom tall and four atoms wide--with exceptionally low resistivity (~0.3 milliohm-centimeters) and the current-carrying capabilities of copper. By embedding phosphorus atoms within a silicon crystal with an average spacing of less than 1 nanometer, we achieved a diameter-independent resistivity, which demonstrates ohmic scaling to the atomic limit. Atomistic tight-binding calculations confirm the metallicity of these atomic-scale wires, which pave the way for single-atom device architectures for both classical and quantum information processing.

Atomic-scale, all epitaxial in-plane gated donor quantum dot in silicon.

Nanoscale control of doping profiles in semiconductor devices is becoming of critical importance as channel length and pitch in metal oxide semiconductor field effect transistors (MOSFETs) continue to shrink toward a few nanometers. Scanning tunneling microscope (STM) directed self-assembly of dopants is currently the only proven method for fabricating atomically precise electronic devices in silicon. To date this technology has realized individual components of a complete device with a major obstacle being the ability to electrically gate devices. Here we demonstrate a fully functional multiterminal quantum dot device with integrated donor based in-plane gates epitaxially assembled on a single atomic plane of a silicon (001) surface. We show that such in-plane regions of highly doped silicon can be used to gate nanostructures resulting in highly stable Coulomb blockade (CB) oscillations in a donor-based quantum dot. In particular, we compare the use of these all epitaxial in-plane gates with conventional surface gates and find superior stability of the former. These results show that in the absence of the randomizing influences of interface and surface defects the electronic stability of dots in silicon can be comparable or better than that of quantum dots defined in other material systems. We anticipate our experiments will open the door for controlled scaling of silicon devices toward the single donor limit.

Single P and As dopants in the Si(001) surface.

Using first-principles density functional theory, we discuss doping of the Si(001) surface by a single substitutional phosphorus or arsenic atom. We show that there are two competing atomic structures for isolated Si-P and Si-As heterodimers, and that the donor electron is delocalized over the surface. We also show that the Si atom dangling bond of one of these heterodimer structures can be progressively charged by additional electrons. It is predicted that surface charge accumulation as a result of tip-induced band bending leads to structural and electronic changes of the Si-P and Si-As heterodimers which could be observed experimentally. Scanning tunneling microscopy (STM) measurements of the Si-P heterodimer on a n-type Si(001) surface reveal structural characteristics and a bias-voltage dependent appearance, consistent with these predictions. STM measurements for the As:Si(001) system are predicted to exhibit similar behavior to P:Si(001).

Origin of Schottky barriers in gold contacts on GaAs110.

Gold contacts on n-type GaAs(110) have been investigated using scanning tunneling microscopy and spectroscopy in cross-sectional configuration. In spatially resolved current voltage spectroscopy the Schottky barrier potential is visible. We find signatures of delocalized gap states at the interface decaying into the semiconductor and observe a defect density at the interface below 3 x 10(13) cm(-2). Both findings support that the Fermi level pinning at the Au/GaAs(110) interface is dominated by metal-induced gap states.