TY  - JOUR
AU  - Blizak, S.
AU  - Bihlmayer, G.
AU  - Blügel, S.
TI  - Ab initio investigations of magnetic properties of FeCo monolayer alloy films on Rh(001)
JO  - Physical review / B
VL  - 86
IS  - 9
SN  - 1098-0121
CY  - College Park, Md.
PB  - APS
M1  - PreJuSER-22949
SP  - 094436
PY  - 2012
N1  - Helpful discussions with D. Wortmann are gratefully acknowledged. Furthermore, S. Blizak acknowledges financial support from the Algerian ministry of higher education and scientific research.
AB  - 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).
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000309267800005
DO  - DOI:10.1103/PhysRevB.86.094436
UR  - https://juser.fz-juelich.de/record/22949
ER  -