The BriXias Code - a complete package for XPS on Igor Pro

PACKAGE PURPOSE

The BriXias package has ben designed in order to properly load, manipulate, analyze and modellize XPS (X-ray Photoelectron Spectroscopy, also known as ESCA) data. The package includes a computational engine, based on standard databases and state-of-the-art Monte-Carlo code, designed to predict XPS spectra on complex multilayer structure, carefully considering the experimental geometry and the X-ray source (energy and polarization). That is, the package allows an accurate element quantification at any geometry and photon energy, and is thus suitable to standard XPS laboratory as well as complex sinchrotron facilities. The accuracy of the theory allows to reach  the "10% accuracy limit" typically assumed for XPS; for this purpose, a fine analyzer calibration tool is also included. At the same time, the BriXias package includes several tools for data manipulation, such as background removal, satellites line deconvolution and multiple curve peak fitting.

The complete list of package features are listed in Key features.

This package runs on Wavemetrics, Inc. Igor Pro software; if you are new to Igor Pro, please look to Why Igor Pro? sections.

BriXias is an acronym for Brescia Initiative for XPS Integrated Analysis and Simulation; it has been developed under the ILAMP consortium (Interdisciplinary Laboratory for Advanced Material Physics) of the Università Cattolica di Brescia (Brixia in latin), Italy.

HOW TO OBTAIN THE PACKAGE

This software is still in development and is currently in a beta testing phase; if you wish to test the preview beta version, please contact us.

KEY FEATURES

This package adds to Igor Pro the following features:

DATA LOADING:

• Load specialized SCIENTA .txt analyzer format
• Load and export .VMS files (VAMAS, Iso 14976)

XPS SPECTRA MANIPULATION:

• XPS background subtraction routines (Shirley, iterated Shirley, Tougaard with various parameters)
• Fast areas evaluation tools
• Energy rescaling and shift, assisted by an automatic peak finder
• Internal multi-peak fitting package (least-squares Levenberg-Marquadt algorithm) expanded to dedicated spectroscopy peak-shape Gaussian, Voigt, Lorentzian, Doniach-Sunjitch with integral background and spin-orbit separation parameter)
• Satellite peaks deconvolution and analyzer transmission function normalization

ELEMENTAL IDENTIFICATION AND QUANTIFICATION:

• Automatic or manual element detection, with a fast automatic quantification tool
• Accurate quantification tool, giving the possibility to include the Escape Depth Correction, with several quantification report possibilities
• Large sensitivity factor database (Yeh and Lindau), with extensive data for each atom in the 100-1500 eV photon energy range
• Calibration tool for analyzer transmission function

SAMPLE MODELING & SIMULATION:

• Model layout design tool, including partial layer coverage (island) or surface roughness
• Fully customizable material database, already including more than 500 entries
• Calculate peak intensities for: 
  • Standard XPS
  • Angle resolved XPS (AR-XPS), with either sample/analyzer/source moving
  • Energy dispersive XPS (ED-XPS)
  • Depth etching and layer deposition
• Full spectra calculation, including energy loss features
• Model Optimization based on single spectra or on Angle Resolved-XPS data

MONTE-CARLO COMPUTATIONAL CODE:

• Allows the calculation of the depth distribution function in the transport approximation
• Include both electron inelastic mean free path and elastic scattering trough referenced databases
• Three different theory levels (straigth line, analytical TA, Monte-Carlo)
• C++ external code for maximum computational efficiency

BATCH WORK:

• Batch propagator panel for fast analysis of multiple spectra, ARXPS data and XPS imaging. Could be applied to any kind of spectra (even not XPS).

WHY IGOR PRO?

Igor Pro is a powerful and fast tool to load and display great amount of data; in fact, most of XPS analytical instrument manufacturer already distribute dedicated Igor Pro packages for data loading. It already integrate routines for ASCII, binary, delimited text and Microsof Excel worksheet data load.

Igor Pro can produce high-quality (ready for pubblication) graphics, that can be easily exported to most of standard vector and raster format, as well as to text-editor, such as Microsoft Office(tm). It integrates a complete programming language (similar to C) that allows automatic data processing trough either simple panel or text interface. This programming language has been partly used to develop the BriXias package.

The present package version has been developed on the 6.22A version and has been tested up to the 6.31 release.