Abstract
Performing ab initio calculations, we reveal that the magnetic anisotropy (MA) and the spin direction of a single adatom can be manipulated with a combination of electric fields and adsorption of molecules. Choosing the Fe adatom on the ${\mathrm{Cu}}_{2}\mathrm{N}\text{/}\mathrm{Cu}(001)$ surface as a typical model system, we show that the MA of the pristine Fe adatom and the Fe adatom with an additional H or F atom adsorption remarkably changes by applying an external electric field. Moreover, we show that the F adsorption leads to the spin-reorientation transition of the Fe adatom from in plane to out of plane. Controlling the magnetization dynamics of a single magnetic adatom by molecule adsorption is demonstrated.
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