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Magnetochemistry 2016, 2(4), 39; doi:10.3390/magnetochemistry2040039

Strain Engineering of the CeNi5 System

School of Science and Technology, Nottingham Trent University, Nottingham NG11 8NS, UK
Academic Editors: Kevin Bernot and Carlos J. Gómez García
Received: 16 August 2016 / Revised: 27 September 2016 / Accepted: 19 October 2016 / Published: 1 November 2016
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Abstract

The effect of strain on the CeNi5 system has been investigated using density functional theory (DFT). The studies have shown that localised Ce 4f and Ni 3d states carry the magnetic moment of the material. The Ce 4f moment remains relatively unchanged during strain whereas the Ni 3d moment increases as the strain becomes increasingly tensile in both the basal and non-basal directions. A significant strain-dependent interaction exists between delocalised, non-magnetic Ce 6s–Ni 4s states. A weaker group of Ni 3d–Ce 6s/Ni 4s and Ni 3d–Ni 3d interactions exist, indicating that competing localised and delocalised mechanisms act on the Ni 3d states during strain. View Full-Text
Keywords: intermetallic; CeNi5; strain engineering; lanthanide; RKKY intermetallic; CeNi5; strain engineering; lanthanide; RKKY
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Shuttleworth, I. Strain Engineering of the CeNi5 System. Magnetochemistry 2016, 2, 39.

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