2018
DOI: 10.1103/physrevb.97.165105
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Tuning the magnetism of the top-layer FeAs on BaFe2As2 (001): First-principles study

Abstract: The magnetic properties of BaFe2As2(001) surface have been studied by using first-principles electronic structure calculations. We find that for As-terminated surface the magnetic ground state of the top-layer FeAs is in the staggered dimer antiferromagnetic (AFM) order, while for Ba-terminated surface the collinear (single stripe) AFM order is the most stable. When a certain coverage of Ba or K atoms are deposited onto the As-terminated surface, the calculated energy differences among different AFM orders for… Show more

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Cited by 2 publications
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