Magnetism in the strained ordered phases of Pt x Fe 1-x and Pt x Co 1-x ( x =0.25, 0.5, and 0.75)

I.G. Shuttleworth

doi:10.1016/j.jpcs.2017.11.021

Magnetism in the strained ordered phases of Pt x Fe 1-x and Pt x Co 1-x ( x =0.25, 0.5, and 0.75)

I.G. Shuttleworth

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

The response of the magnetic moment of the L10 and L12 ordered phases of PtxM1-x (M = Fe,Co) (x = 0.25, 0.5, and 0.75) to compressive and tensile strains have been investigated using density functional theory (DFT). The magnetic moment of the Pt0.75M0.25 and Pt0.50M0.50 phases varies linearly compared to the response of the Pt0.25M0.75 alloys which shows a transition in the rate of change of magnetic moment at approximately zero strain. For all phases the mechanism of magnetic moment change under strain is shown to be intra-orbital charge transfer within the Pt, Fe and Co d shells. The strained and equilibrium magnetic band structures of each phase contain spin-orbit effects which are presented and discussed.

Original language	English (US)
Pages (from-to)	153-162
Number of pages	10
Journal	Journal of Physics and Chemistry of Solids
Volume	114
DOIs	https://doi.org/10.1016/j.jpcs.2017.11.021
State	Published - Mar 2018
Externally published	Yes

Bibliographical note

KAUST Repository Item: Exported on 2021-04-06
Acknowledgements: This work was supported by the computational resources of the Supercomputing Laboratory at the King Abdullah University of Science and Technology (KAUST) and by the author's membership of the UK's HEC Materials Chemistry Consortium, which is funded by the EPSRC (EP/L000202) and used the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk).
This publication acknowledges KAUST support, but has no KAUST affiliated authors.

ASJC Scopus subject areas

General Materials Science
General Chemistry
Condensed Matter Physics

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10.1016/j.jpcs.2017.11.021

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title = "Magnetism in the strained ordered phases of Pt x Fe 1-x and Pt x Co 1-x ( x =0.25, 0.5, and 0.75)",

abstract = "The response of the magnetic moment of the L10 and L12 ordered phases of PtxM1-x (M = Fe,Co) (x = 0.25, 0.5, and 0.75) to compressive and tensile strains have been investigated using density functional theory (DFT). The magnetic moment of the Pt0.75M0.25 and Pt0.50M0.50 phases varies linearly compared to the response of the Pt0.25M0.75 alloys which shows a transition in the rate of change of magnetic moment at approximately zero strain. For all phases the mechanism of magnetic moment change under strain is shown to be intra-orbital charge transfer within the Pt, Fe and Co d shells. The strained and equilibrium magnetic band structures of each phase contain spin-orbit effects which are presented and discussed.",

author = "I.G. Shuttleworth",

note = "KAUST Repository Item: Exported on 2021-04-06 Acknowledgements: This work was supported by the computational resources of the Supercomputing Laboratory at the King Abdullah University of Science and Technology (KAUST) and by the author's membership of the UK's HEC Materials Chemistry Consortium, which is funded by the EPSRC (EP/L000202) and used the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk). This publication acknowledges KAUST support, but has no KAUST affiliated authors.",

year = "2018",

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doi = "10.1016/j.jpcs.2017.11.021",

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AU - Shuttleworth, I.G.

N1 - KAUST Repository Item: Exported on 2021-04-06 Acknowledgements: This work was supported by the computational resources of the Supercomputing Laboratory at the King Abdullah University of Science and Technology (KAUST) and by the author's membership of the UK's HEC Materials Chemistry Consortium, which is funded by the EPSRC (EP/L000202) and used the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk). This publication acknowledges KAUST support, but has no KAUST affiliated authors.

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N2 - The response of the magnetic moment of the L10 and L12 ordered phases of PtxM1-x (M = Fe,Co) (x = 0.25, 0.5, and 0.75) to compressive and tensile strains have been investigated using density functional theory (DFT). The magnetic moment of the Pt0.75M0.25 and Pt0.50M0.50 phases varies linearly compared to the response of the Pt0.25M0.75 alloys which shows a transition in the rate of change of magnetic moment at approximately zero strain. For all phases the mechanism of magnetic moment change under strain is shown to be intra-orbital charge transfer within the Pt, Fe and Co d shells. The strained and equilibrium magnetic band structures of each phase contain spin-orbit effects which are presented and discussed.

AB - The response of the magnetic moment of the L10 and L12 ordered phases of PtxM1-x (M = Fe,Co) (x = 0.25, 0.5, and 0.75) to compressive and tensile strains have been investigated using density functional theory (DFT). The magnetic moment of the Pt0.75M0.25 and Pt0.50M0.50 phases varies linearly compared to the response of the Pt0.25M0.75 alloys which shows a transition in the rate of change of magnetic moment at approximately zero strain. For all phases the mechanism of magnetic moment change under strain is shown to be intra-orbital charge transfer within the Pt, Fe and Co d shells. The strained and equilibrium magnetic band structures of each phase contain spin-orbit effects which are presented and discussed.

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DO - 10.1016/j.jpcs.2017.11.021

M3 - Article

SN - 0022-3697

VL - 114

SP - 153

EP - 162

JO - Journal of Physics and Chemistry of Solids

JF - Journal of Physics and Chemistry of Solids

ER -

Magnetism in the strained ordered phases of Pt x Fe 1-x and Pt x Co 1-x ( x =0.25, 0.5, and 0.75)

Abstract

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ASJC Scopus subject areas

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