Transition-metal adatoms on 2D-GaAs: a route to chiral magnetic 2D materials by design

Using relativistic density-functional calculations, we examine the magneto-crystalline anisotropy and exchange properties of transition-metal atoms adsorbed on 2D-GaAs. We show that single Mn and Mo atom (Co and Os) strongly bind on 2D-GaAs, and induce local out-of-plane (in-plane) magnetic anisotro...

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Veröffentlicht in:Journal of physics. Condensed matter 2021-04, Vol.33 (14), p.145803
Hauptverfasser: González-García, A, López-Pérez, W, González-Hernández, R, Bacaksiz, C, Šabani, D, Milošević, M V, Peeters, F M
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Sprache:eng
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Zusammenfassung:Using relativistic density-functional calculations, we examine the magneto-crystalline anisotropy and exchange properties of transition-metal atoms adsorbed on 2D-GaAs. We show that single Mn and Mo atom (Co and Os) strongly bind on 2D-GaAs, and induce local out-of-plane (in-plane) magnetic anisotropy. When a pair of TM atoms is adsorbed on 2D-GaAs in a close range from each other, magnetisation properties change (become tunable) with respect to concentrations and ordering of the adatoms. In all cases, we reveal presence of strong Dzyaloshinskii-Moriya interaction. These results indicate novel pathways towards two-dimensional chiral magnetic materials by design, tailored for desired applications in magneto-electronics.
ISSN:0953-8984
1361-648X
DOI:10.1088/1361-648X/abe077