SSRL Workshop on XAS and RIXS Data Analysis Using CTM4XAS and CTM4RIXS
May 24, 2011
Speaker/Lecturer: Prof. Frank de Groot
A full day lecture and hands-on analysis session on Charge Transfer Multiplet Calculations for X-ray Absorption Spectroscopy (CTM4XAS) will be held at SSRL/SLAC on May 24, 2011. CTM4XAS is a semi-empirical program to analyze transition metal L- and M-edge transitions by evaluating the effects of crystal field and charge transfer parameters on the atomic multiplets. CTM4RIXS is an interactive tool that calculates the two-dimensional Resonant Inelastic X-ray Scattering (RIXS) planes within the charge transfer multiplet model developed in the CTM4XAS software. 2p3d, 3p3d, 1s2p and 1s3p RIXS spectra are included. The instructor will be one of the the authors of the program, Professor Frank de Groot from Utrecht University, The Netherlands.
Transition metal L2,3 edges cannot be calculated with one-electron codes such as WIEN2K, FEFF, or DFT-based codes. The main reason for the deviation from the density of states is the strong overlap of the core wave function with the valence wave functions. CTM4XAS explicitly calculates this strong overlap between the core and valence level wave functions and additionally includes the core and valence spin-orbit coupling and the effects of strong correlations within the charge transfer model.
CTM4XAS has been developed by Eli Stavitski and Frank de Groot, based on the original charge transfer multiplet code developed by Theo Thole. It also includes the calculation of Electron energy loss spectroscopy (EELS), other XAS, X-ray photoemission (XPS) and X-ray emission (XES).
CTM4RIXS has been developed by Eli Stavitski, Pieter Glatzel and Frank de Groot. It uses the output of CTM4XAS to create theoretical images of RIXS planes, including a number of data treatments.
If you would like to get more information on CTM4XAS and CTM4RIXS or download the software, see the CTM4XAS website: http://www.anorg.chem.uu.nl/CTM4XAS/
Participants invited for the hands-on workshop are asked to bring individual laptops and to download and equip their computers with the programs for use at the hands-on training session.
For inquiries about this workshop, please contact Dr. Ritimukta Sarangi, SSRL, at ritis@slac.stanford.edu
Building 901's Redtail Hawk conference room
| 09:30 | Introduction | |
| 09:30 - 10:30 | Basics of Multiplet Effects in Metal L-edges: Introduction of Atomic and Molecular Parameters that Affect Spectral Shape. | |
| 10:30 – 10:45 | Break | |
| 10:45 - 11:45 | Advanced Concepts in Charge Transfer Multiplets and Introduction to RIXS | |
| 11:45 – 13:00 | Lunch Break | |
| 13:00 – 17:00 | Hands on Analysis Session |
