Non-empirical calculation of X-ray magnetic circular dichroism in lanthanide compounds-Reference-Cited by-同舟云学术

Non-empirical calculation of X-ray magnetic circular dichroism in lanthanide compounds

Published:2019 Issue:20 Volume:55 Page:2988-2991
ISSN:1359-7345
Container-title:Chemical Communications
language:en
Short-container-title:Chem. Commun.

Author:

Ramanantoanina Harry¹²³^ORCID,Studniarek Michał¹²³,Daffé Niéli¹²³^ORCID,Dreiser Jan¹²³^ORCID

Affiliation:

1. Paul Scherrer Institute

2. Villigen PSI

3. Switzerland

Abstract

Ligand-field density functional theory is shown to perform well for the calculation of circularly and linearly polarized X-ray absorption spectra.

Funder

H2020 Marie Skłodowska-Curie Actions

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CC/C8CC09321K

Reference27 articles.

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2. J. Stöhr and H. C.Siegmann , Magnetism: From Fundamentals to Nanoscale Dynamics , Springer-Verlag , Berlin Heidelberg , 2006

3. Strong Magnetic Dichroism Predicted in theM4,5X-Ray Absorption Spectra of Magnetic Rare-Earth Materials

4. Calculations of magnetic x-ray dichroism in the 3dabsorption spectra of rare-earth compounds

5. Multiplet effects in X-ray spectroscopy

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