Abstract
The structural, electronic, and magnetic properties of rare‐earth metals doped ZnO monolayer have been investigated using the first‐principles calculations. The induced spin polarization is confirmed for Ce, Eu, Gd, and Dy dopings while the induced spin polarization is negligible for Y doping. The localized f states of rare‐earth atoms respond to the introduction of a magnetic moment. ZnO monolayer undergoes transition from semiconductor to metal in the presence of Y, Ce, Gd, and Dy doping. More interestingly, Eu doped ZnO monolayer exhibits half‐metallic behavior. Our result demonstrates that the RE‐doping is an efficient route to modify the magnetic and electronic properties in ZnO monolayer.
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