The interaction of vapor-deposited Al atoms with self-assembled monolayers (SAMs) of HS(CH2)15CH3 and HS(CH2)15CO2CH3 chemisorbed at Au{111} surfaces was studied using X-ray photoelectron spectroscopy, infrared spectroscopy, time-of-flight secondary ion mass spectrometry, and spectroscopic ellipsometry. For the CH3-terminated SAM, no reaction with C−H or C−C bonds was observed. For total Al doses up to ∼12 atoms/nm2, penetration to the Au−S interface occurs with no disruption of the average chain conformation and tilt, indicating formation of a highly uniform ∼1:1 Al adlayer on the Au. Subsequently, penetration ceases and a metallic overlayer begins to form at the SAM−vacuum interface. These results are explained in terms of an initial dynamic hopping of the −S headgroups on the Au lattice, which opens transient diffusion channels to the Au−S interface, and the closing of these channels upon completion of the adlayer. In contrast, Al atom interactions with the CO2CH3-terminated SAM are restricted to the vacuum interface, where in the initial stages discrete organometallic products form via reaction with the CO2CH3 group. First, a 1:1 complex forms with a reduced CO bond and an intact CH3 moiety. Further exposure leads to the additional reaction of about four Al atoms per ester, after which a metallic overlayer nucleates in the form of clusters. After the growth progresses to ∼30 Å, the clusters coalesce into a uniform metallic film. These results illustrate the extraordinary degree of control that organic substrates can exert during the course of metal film formation.

BiFeO 3 thin films have been deposited on ͑001͒ SrTiO 3 substrates by adsorption-controlled reactive molecular-beam epitaxy. For a given bismuth overpressure and oxygen activity, single-phase BiFeO 3 films can be grown over a range of deposition temperatures in accordance with thermodynamic calculations. Four-circle x-ray diffraction reveals phase-pure, epitaxial films with rocking curve full width at half maximum values as narrow as 29 arc sec ͑0.008°͒. Multiple-angle spectroscopic ellipsometry reveals a direct optical band gap at 2.74 eV for stoichiometric as well as 5% bismuth-deficient single-phase BiFeO 3 films.

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We have developed a Kramers-Kronig consistent analytical expression to fit the measured optical functions of hydrogenated amorphous silicon (a-Si:H) based alloys, i.e., the real and imaginary parts of the dielectric function (⑀ 1 ,⑀ 2) ͑or the index of refraction n and absorption coefficient ␣͒ versus photon energy E for the alloys. The alloys of interest include amorphous silicon-germanium (a-Si 1Ϫx Ge x :H) and silicon-carbon (a-Si 1Ϫx C x :H), with band gaps ranging continuously from ϳ1.30 to 1.95 eV. The analytical expression incorporates the minimum number of physically meaningful, E independent parameters required to fit (⑀ 1 ,⑀ 2) versus E. The fit is performed simultaneously throughout the following three regions: ͑i͒ the below-band gap ͑or Urbach tail͒ region where ␣ increases exponentially with E, ͑ii͒ the near-band gap region where transitions are assumed to occur between parabolic bands with constant dipole matrix element, and ͑iii͒ the above-band gap region where (⑀ 1 ,⑀ 2) can be simulated assuming a single Lorentz oscillator. The expression developed here provides an improved description of ⑀ 2 ͑or ␣͒ in the below-band gap and near-band gap regions compared with previous approaches. Although the expression is more complicated analytically, it has numerous applications in the analysis and simulation of thin film a-Si:H based p-in and n-i-p multilayer photovoltaic devices. First, we describe an approach whereby, from a single accessible measure of the optical band gap, the optical functions can be generated over the full solar spectrum for a sample set consisting of the highest quality intrinsic a-Si:H based alloys prepared by plasma-enhanced chemical vapor deposition using the principle of maximal H 2 dilution. Second, we describe quantitatively how such an approach can be modified for sample sets consisting of lower quality alloy materials. Finally, we demonstrate how the generated optical functions can be used in simulations of the absorption, reflection, and quantum efficiency spectra of a-Si:H based single-junction and multijunction solar cells.