Literature DB >> 20637641

The CTM4XAS program for EELS and XAS spectral shape analysis of transition metal L edges.

Eli Stavitski1, Frank M F de Groot.   

Abstract

The CTM4XAS program for the analysis of transition metal L edge Electron Energy Loss Spectroscopy (EELS) or X-ray Absorption Spectra (XAS) is explained. The physical background of the calculations is briefly discussed. The program consists of three theoretical components, based on, respectively, atomic multiplet theory, crystal field theory and charge transfer theory. The theoretical concepts are explained and a number of examples are presented. The calculation of the 2p EELS and XAS spectra of transition metal ions, is given in detail, including their Magnetic Circular Dichroism (MCD). In addition, examples of 1s, 2s, 3s, 2p and 3p X-ray Photoemission Spectroscopy (XPS) are given.

Entities:  

Year:  2010        PMID： 20637641     DOI： 10.1016/j.micron.2010.06.005

Source DB:  PubMed          Journal:  Micron        ISSN： 0968-4328            Impact factor:   2.251


  35 in total

1.  Cr L-Edge X-ray Absorption Spectroscopy of CrIII(acac)3 in Solution with Measured and Calculated Absolute Absorption Cross Sections.

Authors:  Markus Kubin; Meiyuan Guo; Maria Ekimova; Erik Källman; Jan Kern; Vittal K Yachandra; Junko Yano; Erik T J Nibbering; Marcus Lundberg; Philippe Wernet
Journal:  J Phys Chem B       Date:  2018-07-13       Impact factor: 2.991

2.  Tracking the insulator-to-metal phase transition in VO2 with few-femtosecond extreme UV transient absorption spectroscopy.

Authors:  Marieke F Jager; Christian Ott; Peter M Kraus; Christopher J Kaplan; Winston Pouse; Robert E Marvel; Richard F Haglund; Daniel M Neumark; Stephen R Leone
Journal:  Proc Natl Acad Sci U S A       Date:  2017-08-21       Impact factor: 11.205

3.  Excitation-wavelength-dependent small polaron trapping of photoexcited carriers in α-Fe2O3.

Authors:  Lucas M Carneiro; Scott K Cushing; Chong Liu; Yude Su; Peidong Yang; A Paul Alivisatos; Stephen R Leone
Journal:  Nat Mater       Date:  2017-07-10       Impact factor: 43.841

4.  Surface symmetry-breaking and strain effects on orbital occupancy in transition metal perovskite epitaxial films.

Authors:  D Pesquera; G Herranz; A Barla; E Pellegrin; F Bondino; E Magnano; F Sánchez; J Fontcuberta
Journal:  Nat Commun       Date:  2012       Impact factor: 14.919

5.  Theory-driven design of high-valence metal sites for water oxidation confirmed using in situ soft X-ray absorption.

Authors:  Xueli Zheng; Bo Zhang; Phil De Luna; Yufeng Liang; Riccardo Comin; Oleksandr Voznyy; Lili Han; F Pelayo García de Arquer; Min Liu; Cao Thang Dinh; Tom Regier; James J Dynes; Sisi He; Huolin L Xin; Huisheng Peng; David Prendergast; Xiwen Du; Edward H Sargent
Journal:  Nat Chem       Date:  2017-11-20       Impact factor: 24.427

6.  Final-State Projection Method in Charge-Transfer Multiplet Calculations: An Analysis of Ti L-Edge Absorption Spectra.

Authors:  Thomas Kroll; Edward I Solomon; Frank M F de Groot
Journal:  J Phys Chem B       Date:  2015-08-13       Impact factor: 2.991

Review 7.  In Situ/Operando Electrocatalyst Characterization by X-ray Absorption Spectroscopy.

Authors:  Janis Timoshenko; Beatriz Roldan Cuenya
Journal:  Chem Rev       Date:  2020-09-28       Impact factor: 60.622

8.  Ca L2,3-edge XANES and Sr K-edge EXAFS study of hydroxyapatite and fossil bone apatite.

Authors:  I M Zougrou; M Katsikini; M Brzhezinskaya; F Pinakidou; L Papadopoulou; E Tsoukala; E C Paloura
Journal:  Naturwissenschaften       Date:  2016-07-05

9.  K- and L-edge X-ray Absorption Spectroscopy (XAS) and Resonant Inelastic X-ray Scattering (RIXS) Determination of Differential Orbital Covalency (DOC) of Transition Metal Sites.

Authors:  Michael L Baker; Michael W Mara; James J Yan; Keith O Hodgson; Britt Hedman; Edward I Solomon
Journal:  Coord Chem Rev       Date:  2017-02-09       Impact factor: 22.315

10.  Direct Determination of Absolute Absorption Cross Sections at the L-Edge of Dilute Mn Complexes in Solution Using a Transmission Flatjet.

Authors:  Markus Kubin; Meiyuan Guo; Maria Ekimova; Michael L Baker; Thomas Kroll; Erik Källman; Jan Kern; Vittal K Yachandra; Junko Yano; Erik T J Nibbering; Marcus Lundberg; Philippe Wernet
Journal:  Inorg Chem       Date:  2018-04-10       Impact factor: 5.165
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