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

The adsorption of nitric oxide on a silicon (100) 2 × 1 surface studied with Auger electron spectroscopy

We present an Auger electron spectroscopy (AES) study of the adsorption of nitric oxide (NO) on a clean Si(100)2 × 1 surface at 300 and 550 K. Accurate measurement reeveal well resolved fine structure at Auger SiL2.3VV transitions at 62 and 83 eV. These peaks can be attributed to Si---O and Si---N bonds. Furthermore, it is argued that the broadening in the SiLi2.3VV Auger transition at 83 eV at 300 K may be composed of two nearby peaks, which could be attributed to two different kinds of chemical bonding, Si---N and Si---O. The absence of a peak at 69 eV at room temperature strongly suggests the NO adsorption on a Si(100)2 × 1 surface to be molecular. Dissociation of NO on the Si(100)2 × 1 surface is observed at 550 K

Missing dimer defects investigated by adsorption of nitric oxide (NO) on silicon (100) 2 × 1

This paper describes a study concerning the interaction of nitric oxide (NO) with the clean Si(100)2×1 surface in ultra-high vacuum at room temperature. Differential reflectometry (DR) in the photon energy range of 2.4–4.4 eV. Auger electron spectroscopy (AES) and low energy electron diffraction (LEED) have been used to investigate the chemisorption of NO on Si(100)2×1. With this combination of techniques it is possible to make an analysis of the geometric and electronic structure and chemical composition of the surface layer. The aim of the present study was to explain the experimental results of the adsorption of NO on the clean Si(100)2×1 at 300 K. Analysing the electronic and geometric structure of a simplified stepped 2×1 reconstructed Si(100) surface and of the NO molecule in combination with the use of Woodward-Hoffmann rules (WHR) we were able to model a surface defect specific adsorption mechanism. Surface defects such as missing dimer defects seem to play an important role in the adsorption mechanism of NO on the silicon surface. The experimental results are consistent with this developed model. We also suggest a relation between the missing dimer defects and the number of steps on the silicon surface

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

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

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

Trust economics feasibility study

We believe that enterprises and other organisations currently lack sophisticated methods and tools to determine if and how IT changes should be introduced in an organisation, such that objective, measurable goals are met. This is especially true when dealing with security-related IT decisions. We report on a feasibility study, Trust Economics, conducted to demonstrate that such methodology can be developed. Assuming a deep understanding of the IT involved, the main components of our trust economics approach are: (i) assess the economic or financial impact of IT security solutions; (ii) determine how humans interact with or respond to IT security solutions; (iii) based on above, use probabilistic and stochastic modelling tools to analyse the consequences of IT security decisions. In the feasibility study we apply the trust economics methodology to address how enterprises should protect themselves against accidental or malicious misuse of USB memory sticks, an acute problem in many industries