Deconvolution, differentiation and Fourier transformation algorithms for noise-containing data based on splines and global approximation

One of the main problems in the analysis of measured spectra is how to reduce the influence of noise in data processing. We show a deconvolution, a differentiation and a Fourier Transform algorithm that can be run on a small computer (64 K RAM) and suffer less from noise than commonly used routines. This objective is achieved by implementing spline based functions in mathematical operations to obtain global approximation properties in our routines. The convenient behaviour and the pleasant mathematical character of splines makes it possible to perform these mathematical operations on large data input in a limited computing time on a small computer system. Comparison is made with widely used routines

In-situ growth studies of sputtered ybco thin films by spectroscopic ellipsometry

Using spectroscopic ellipsometry we studied in-situ the growth of off-axis sputtered YBa2Cu3O6+x thin films on (001) SrTiO3 as a function of the deposition parameters. Especially in the very first growth stage (<5 nm) we observed that the optical properties of the grown layer differs from the "bulk" optical properties of YBCO and strongly depends on, both, the deposition temperature and the oxygen partial pressure. Both properties are well established as influencing the superconducting properties of thin YBCO films. YBCO thin film growth under optimal deposition conditions (Tcnot, vert, similar90 K; jc>106A cm¿2 @ 77 K) is smooth and homogeneous, except for the first unit cell layer (initial stage regime). The smoothness of the response is indicative for a step-mode like growth mechanism. In contrast, the initial stage regime is governed by a 2D nucleation mechanism. This behaviour changes when the deposition temperature is lowered. Due to increased disorder, the initial stage regime is extended to larger thicknesses and a true 2D growth mode is no longer apparent. Similar behaviour is observed with increasing oxygen partial pressure, where the optical response is shifted from a step-flow mode like mechanism to an island-growth mode

Optical anisotropy of Ge(001)

The surface induced optical anisotropy in the electronic structure of clean Ge(001) 2×1 was studied with an ellipsometer at normal incidence. The change in the reflection difference between light polarized parallel and perpendicular to the dimer bond at this surface upon either absorption of molecular oxygen or Ar+ ion bombardment was recorded. Both procedures were found to give the same results. It was possible to obtain a qualitative agreement of the optical spectrum recorded and the position and parity of the occupied and unoccupied surface states known on the clean surface

The influence of the (2 × 1) reconstruction of the Si(1 0 0) surface on the Si---L2,3 VV Auger lineshape

The extreme surface sensitiveness of the Si---L2,3 VV Auger process and its ability to probe the atomic electron distribution in the direct neighbourhood of the L2,3-core-hold makes this electron spectroscopic technique a candidate for investigations of the local changes in the electron distribution due to surface reconstruction. In this paper we show, explicitly, the influence of the (2 × 1) reconstruction of the Si(1 0 0) surface on the Si---L2,3 VV Auger lineshape. Furthermore, the calculated Auger lineshape will be compared with an experimentally obtained line profile

Transition density of states (TDOS) of the Si(100)2 × 1 surface derived from the L2,3VV Auger lineshape compared with cluster calculations

The termination of a silicon crystal along the (100) orientation resulting in a 2 × 1 reconstructed surface induces relatively large variations in the local density of states (LDOS) of the different types of surface atoms, such as the up and down dimer atom and the backbond atom. Auger electron spectroscopy (AES) is able to probe the LDOS of the silicon atom in which the L2,3 core hole has been created and is therefore a candidate to analyze the LDOS of the surface atoms. A detailed analysis of the SiL2,3VV Auger electron spectrum allows us to determine a high quality transition density of state (TDOS) of the Si(100)2 × 1 reconstructed surface. The resolved peaks in the TDOS were compared with previous AES, UPS and EELS measurements reported by other investigators. Quantum chemical cluster calculations were used for the interpretation of the TDOS in the actual p-like and s-like partial local density of states for different types of silicon atoms. These quantum chemical cluster calculations of the partial LDOS localized at atoms of the Si(100)2 × 1 surface were found to be in agreement with other types of calculations. Comparing the experimental and the calculated DOS we were able to distinguish several new peaks in the TDOS obtained with AES and to discriminate features in the experimentally obtained TDOS into local electron distributions localized at different surface atoms

Calculated and measured Auger lineshapes in clean Si(100)2×1, SiOx and Si-NO

The measurements were performed on the clean 2*1 reconstructed Si(100) surface and this surface exposed to molecular oxygen (O2) or nitric oxide (NO) at room temperature. The data were corrected for electron loss and spectrometer distortions using the authors' newly developed deconvolution method. This method which uses global approximation and spline functions can overcome several difficulties with respect to deconvolution and allows them to derive high-quality auger lineshapes from the SiL2.3 VV Auger electron spectra. The authors experimentally obtained Auger lineshapes were compared with theoretical lineshapes utilising quantum chemical cluster calculations. They used this type of calculation for the interpretation of the Auger lineshape in the actual p-like and s-like partial local density of states for different types of silicon atom. The observed intensities of the major features are in reasonable agreement with the authors' calculations

Effect of quantum confinement on the dielectric function of PbSe

Monolayers of lead selenide nanocrystals of a few nanometers in height have been made by electrodeposition on a Au(111) substrate. These layers show a thickness-dependent dielectric function, which was determined using spectroscopic ellipsometry. The experimental results are compared with electronic structure calculations of the imaginary part of the dielectric function of PbSe nanocrystals. We demonstrate that the size-dependent variation of the dielectric function is affected by quantum confinement at well-identifiable points in the Brillouin zone, different from the position of the band-gap transition

New approach for correction of distortions in spectral line profiles in Auger electron spectroscopy

A new deconvolution method for Auger electron spectroscopy is presented. This method is based on a non-linear least squares minimizing routine (Levenberg-Marquardt) and global approximation using splines, solving many of the drawbacks inherent to the Van Cittert and Fourier transform based deconvolution methods. The deconvolution routine can be run on a personal computer. The application of this method goes beyond the electron spectroscopies and can be considered as a general deconvolution method

Surface disorder production during plasma immersion implantation and high energy ion implantation

High-depth-resolution Rutherford Backscattering Spectrometry (RBS) combined with channeling technique was used to analyze the surface layer formed during plasma immersion ion implantation (PIII) of single crystal silicon substrates. Single wavelength multiple angle of incidence ellipsometry (MAIE) was applied to estimate the thickness of the surface layer. The thickness of the disordered layer is much higher than the projected range of P ions and it is comparable with that of protons.\ud \ud Another example of surface damage investigation is the analysis of anomalous surface disorder created by 900 keV and 1.4 MeV Xe implantation in 100 silicon. For the 900 keV implants the surface damage was also characterized with spectroellipsometry (SE). Evaluation of ellipsometric data yields thickness values for surface damage that are in reasonable agreement with those obtained by RBS