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)|
|Number of pages||10|
|Journal||Journal of Physics and Chemistry of Solids|
|State||Published - Mar 2018|
Bibliographical noteKAUST 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
- Materials Science(all)
- Condensed Matter Physics