Shuttleworth, I.G. ORCID: 0000-0001-8655-9718, 2017. The effects of strain on the ordered phases of Ni x Pt1 -x (x=0.25, 0.5, and 0.75). Chemical Physics Letters, 689, pp. 41-47. ISSN 0009-2614
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Abstract
The effects of strain on the ordered L1 0 and L1 2 phases of Pt x Ni 1-x (x=0.25, 0.5, and 0.75) have been investigated using both scalar and vector relativistic density functional theory (DFT). The spin orbit correction (SOC) orders the local magnetic moment vector along ΓR (ΓA) diagonal of the L1 2 (L1 0) phases. Applying tensile (compressive) strain to each phase causes the local magnetic moment of the crystal to increase (decrease). The SOC component of the local magnetic moment is independent of the stress applied to the crystal.
Item Type: | Journal article | ||||||
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Publication Title: | Chemical Physics Letters | ||||||
Creators: | Shuttleworth, I.G. | ||||||
Publisher: | Elsevier | ||||||
Date: | 1 December 2017 | ||||||
Volume: | 689 | ||||||
ISSN: | 0009-2614 | ||||||
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Divisions: | Schools > School of Science and Technology | ||||||
Record created by: | Linda Sullivan | ||||||
Date Added: | 17 Oct 2017 11:13 | ||||||
Last Modified: | 03 Oct 2018 03:00 | ||||||
URI: | https://irep.ntu.ac.uk/id/eprint/31823 |
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