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X‐ray photoelectron spectroscopy (XPS) is the most widely used and important method for chemically analyzing and speciating surfaces. XPS has surface sensitivity (5–10 nm), is quantitative, and is able to probe the oxidation states of the elements at surfaces. However, during the past few years, a great deal of incorrect XPS data analysis has entered the scientific literature. Accordingly, efforts, including this Insight Note, are being made to provide tutorial information to the scientific community. Aluminum is a scientifically and technologically important element. Here we discuss approaches for fitting the Al 2p peak envelope from a sample of aluminum foil with a thin layer of oxide on it. Signals from the metal and oxide are present. We discuss methods for electrically isolating (or not isolating) the sample during data acquisition, the choice of the baseline, fitting the oxide peak with one or two synthetic peaks, and fitting the metal signal with two symmetric or two asymmetric peaks. The thickness of the oxide is calculated based on the areas of the oxide and metal signals. [ABSTRACT FROM AUTHOR]

The Gaussian–Lorentzian sum (GLS) and product (GLP) functions remain important in X‐ray photoelectron spectroscopy (XPS) peak fitting. Here, we present a detailed view of these functions, comparing them with each other and with the Voigt function (the "LA(m)" function). First, we show the GLS, GLP, and LA(m) functions as a function of their mixing parameters, m, which reveals differences between them. We then illustrate the use of these functions to fit a series of spectra acquired at different pass energies (resolutions). Next, we show the underlying Gaussian and Lorentzian components of a series of GLS and GLP functions as a function of m, which confirms that the GLS is a simple linear combination of Gaussian and Lorentzian functions. However, one of the two functions used to make the GLP can be very wide, that is, at its extremes, one of these functions has infinite width. We then discuss a plot of the areas of the GLS, GLP, and LA(m) functions as a function of m, which reveals the expected, linear increase in area of the GLS, but nonlinear changes in the areas of the other two functions. Finally, to better understand them, we fit these functions to each other. These results indicate that the GLS and GLP better match the LA(m) function at lower and higher values of the mixing parameter, respectively. [ABSTRACT FROM AUTHOR]

Although the fundamental, theoretical peak shape in X-ray photoelectron spectroscopy (XPS) is Lorentzian, some Gaussian character is observed in most XPS signals. Additional complexity in the form of asymmetry is also found in many XPS signals, which requires more advanced peak shapes than the traditional, symmetric Voigt and Gaussian-Lorentzian sum and product (pseudo-Voigt) functions. Here, we discuss the merits and disadvantages of four approaches that have been used to introduce asymmetry into XPS peak shapes: addition of a decaying exponential tail to a symmetric peak shape, the Doniach-Sunjic peak shape, the double-Lorentzian, DL, function, and the LX peak shapes, which include the asymmetric Lorentzian (LA), finite Lorentzian (LF), and square Lorentzian (LS) functions. The Doniach-Sunjic peak shape is the only asymmetric, synthetic peak that has a theoretical basis. However, it has an infinite integral, which makes it problematic in quantitative work. The mathematical bases for the LX and DL peak shapes are discussed, and practical examples of their use in peak fitting are presented. The case is made for the Voigt function being the most appropriate function for XPS peak fitting, in general, which suggests that a modified Voigt function may be the most reasonable for fitting asymmetric XPS signals. The LX and DL functions include convolution with a Guassian, which, with the exception of the LS function, makes them Voigt-like functions. The sources of asymmetry and its complexity are discussed. It is emphasized that not every asymmetric spectrum should be fit with an asymmetric peak shape. [ABSTRACT FROM AUTHOR]

Atomic layer deposition (ALD) is widely used in the semiconductor and materials industries for depositing thin films. Here, we describe a holder/container for performing ALD on particles that does not require agitation. This device contains a broad, shallow, circular recess that holds the particles. Two different frits and combinations of stacked meshes were explored as a cover to this holder to restrict the movement of the particles while still allowing good conductance of the ALD reagent gases. A mathematical discussion of the diffusion through the frits and stacked meshes is presented. As confirmed by spectroscopic ellipsometry (SE) on planar witness silicon shards, consistent, high‐quality film growth took place inside and outside the holder. The performance of the holder was demonstrated with ~5‐μm zirconia particles that were coated with alumina from trimethylaluminum (TMA) and water, and with zinc oxide from diethylzinc (DEZ) and water. Deposition on different amounts of particles was investigated (50, 100, 200, and 500 mg). Parasitic chemical vapor deposition (CVD) appeared to be present when a greater number of particles or meshes were used. ALD coating on particles was also confirmed by X‐ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), and energy‐dispersive X‐ray spectroscopy (EDS). [ABSTRACT FROM AUTHOR]

SU‐8 is an important, epoxy‐based, negative photoresist that can create high aspect ratio features. Spectroscopic ellipsometry (SE) is a nondestructive analytical technique that can be performed in the open air. In this study, reflection and transmission SE measurement data were combined to model the optical function of SU‐8 photoresist. The data were fit using three different models: (i) a B‐spline model, (ii) a four‐Gaussian oscillator model with an ultraviolet (UV) and an infrared (IR) pole, and (iii) a Cody–Lorentz model with three additional Gaussian oscillators. All three models successfully fit the data, where the B‐spline model showed the lowest mean squared error. In situ SE data were also collected and fitted to follow possible changes in the optical properties of the SU‐8 during its development. Time‐dependent density functional theory (TD‐DFT) modeling of a complete SU‐8 monomer is qualitatively and quantitatively consistent with the measured optical function. [ABSTRACT FROM AUTHOR]

Display glasses meet the demands of the flat panel display industry vis-à-vis their composition, flatness, and forming processes. Here, we report the high-resolution time-of-flight secondary ion mass spectrometry (ToF-SIMS) characterization of Corning® EAGLE XG®, a widely used display glass, and subsequent chemometric analyses of these data. Samples analyzed included the as-formed glass, fracture surfaces from remelt bars, and as-formed surfaces subsequently exposed to process-relevant treatments, including strong acids and bases, two industrial detergents, and an atmospheric-pressure plasma treatment. Elemental signals in the positive ion ToF-SIMS spectra respond to surface treatments. Acidic conditions leach non-silica components from the surfaces, while basic treatments extract these species less efficiently. The detergents leave residues of Na+ and K+. The atmospheric pressure (AP) plasma treatment had little effect on the surface composition, while the melt surface differs significantly from the bulk fracture surface. Above ca. 75 m/z, the negative ion spectra are dominated by two series of homologous cluster ions with compositions of Si nO2 n+2Al− and Si mHO2 m+1H−. The presence of these clusters suggests that analogous structures exist at the near surface regions of the samples. In a series of multivariate curve resolution (MCR) analyses, two or three MCR components captured >95% of the variance in the data for these samples. [ABSTRACT FROM AUTHOR]