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• W2069421712 abstract "Using DACAPO code based on density functional theory (DFT) with plane wave basis set, the ionic cores being represented by ultra soft pseudo-potentials, and TB-LMTO-ASA method, we investigate the polarisation of Fe films on Co(1 1 0) substrate. Calculations with and without relaxation were carried out. We found that up to three Fe monolayers, a ferromagnetic order is the ground state. However, an antiferromagnetic coupling between Fe monolayers is observed for thicker films. A comparison between the results obtained for up to three Fe monolayers by both methods is reported." @default.
• W2069421712 created "2016-06-24" @default.
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• W2069421712 date "2006-11-01" @default.
• W2069421712 modified "2023-09-27" @default.
• W2069421712 title "Magnetic polarisation at the Fe/Co(110) interfaces" @default.
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• W2069421712 doi "https://doi.org/10.1016/j.theochem.2006.08.008" @default.
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