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000022949 1001_ $$0P:(DE-Juel1)VDB109067$$aBlizak, S.$$b0$$uFZJ
000022949 245__ $$aAb initio investigations of magnetic properties of FeCo monolayer alloy films on Rh(001)
000022949 260__ $$aCollege Park, Md.$$bAPS$$c2012
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000022949 500__ $$3POF3_Assignment on 2016-02-29
000022949 500__ $$aHelpful discussions with D. Wortmann are gratefully acknowledged. Furthermore, S. Blizak acknowledges financial support from the Algerian ministry of higher education and scientific research.
000022949 520__ $$aThe objective of this work is to employ spin-polarized density functional theory (sDFT) calculations for the exploration of ultrathin magnetic films with large magnetic moments and a strong perpendicular anisotropy. Monolayer films of Fe1-xCox (with x = 0, 0.25, 0.5, 0.75, and 1) on Rh(001) were addressed to study their magnetic properties using the all-electron full-potential linearized augmented plane wave (FLAPW) method in film geometry. We studied the magnetic order of these films including structural relaxations of the topmost layers. Fe1-xCox monolayer films were found to be ferromagnetic (FM) in a broad range of Co content x with a maximum magnetic moment of 2.8 mu(B) and of an out-of-plane magneto-crystalline anisotropy of 0.25 meV per magnetic atom at x = 0.5. The sDFT results were mapped onto a classical Heisenberg model, demonstrating FM Fe-Co and Co-Co couplings, while the Fe-Fe interaction is antiferromagnetic on Rh(001). The ordering temperature of the FeCo film was estimated to be well above room temperature (482 K).
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000022949 7001_ $$0P:(DE-Juel1)130545$$aBihlmayer, G.$$b1$$uFZJ
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