Computational Study of Al and Sc NMR Shielding in Metallic ScTT′Al Heusler Phases
Author:
Affiliation:
1. Institute of High Performance Computing, A*STAR, 1 Fusionopolis Way, #16-16, Connexis, Singapore 138632
2. Institute of Materials Chemistry, Vienna University of Technology, Getreidemarkt 9/165-TC, A-1060 Vienna, Austria
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.7b03494
Reference35 articles.
1. Self-Consistent Equations Including Exchange and Correlation Effects
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4. All-electron magnetic response with pseudopotentials: NMR chemical shifts
5. NMR Shielding in Metals Using the Augmented Plane Wave Method
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