This title appears in the Scientific Report :
2012
Please use the identifier:
http://dx.doi.org/10.1103/PhysRevB.86.094436 in citations.
Please use the identifier: http://hdl.handle.net/2128/10840 in citations.
Ab initio investigations of magnetic properties of FeCo monolayer alloy films on Rh(001)
Ab initio investigations of magnetic properties of FeCo monolayer alloy films on Rh(001)
The objective of this work is to employ spin-polarized density functional theory (sDFT) calculations for the exploration of ultrathin magnetic films with large magnetic moments and a strong perpendicular anisotropy. Monolayer films of Fe1-xCox (with x = 0, 0.25, 0.5, 0.75, and 1) on Rh(001) were add...
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Personal Name(s): | Blizak, S. |
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Bihlmayer, G. / Blügel, S. | |
Contributing Institute: |
Quanten-Theorie der Materialien; PGI-1 Jülich-Aachen Research Alliance - Simulation Sciences; JARA-SIM JARA-FIT; JARA-FIT Quanten-Theorie der Materialien; IAS-1 |
Published in: | Physical Review B Physical review / B, 86 86 (2012 2012) 9 9, S. 094436 094436 |
Imprint: |
College Park, Md.
APS
2012
|
Physical Description: |
094436 |
DOI: |
10.1103/PhysRevB.86.094436 |
Document Type: |
Journal Article |
Research Program: |
Grundlagen für zukünftige Informationstechnologien |
Series Title: |
Physical Review B
86 |
Subject (ZB): | |
Link: |
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Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/10840 in citations.
The objective of this work is to employ spin-polarized density functional theory (sDFT) calculations for the exploration of ultrathin magnetic films with large magnetic moments and a strong perpendicular anisotropy. Monolayer films of Fe1-xCox (with x = 0, 0.25, 0.5, 0.75, and 1) on Rh(001) were addressed to study their magnetic properties using the all-electron full-potential linearized augmented plane wave (FLAPW) method in film geometry. We studied the magnetic order of these films including structural relaxations of the topmost layers. Fe1-xCox monolayer films were found to be ferromagnetic (FM) in a broad range of Co content x with a maximum magnetic moment of 2.8 mu(B) and of an out-of-plane magneto-crystalline anisotropy of 0.25 meV per magnetic atom at x = 0.5. The sDFT results were mapped onto a classical Heisenberg model, demonstrating FM Fe-Co and Co-Co couplings, while the Fe-Fe interaction is antiferromagnetic on Rh(001). The ordering temperature of the FeCo film was estimated to be well above room temperature (482 K). |