The effects of strain on the ordered phases of Ni x Pt1 -x (x=0.25, 0.5, and 0.75)

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
Publication Title: Chemical Physics Letters
Creators: Shuttleworth, I.G.
Publisher: Elsevier
Date: 1 December 2017
Volume: 689
ISSN: 0009-2614
Identifiers:
NumberType
10.1016/j.cplett.2017.10.010DOI
S0009261417309260Publisher Item Identifier
Divisions: Schools > School of Science and Technology
Depositing User: Linda Sullivan
Date Added: 17 Oct 2017 11:13
Last Modified: 18 Oct 2017 11:03
URI: http://irep.ntu.ac.uk/id/eprint/31823

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