Electronic and Magnetic Properties of Rare-Earth Metals Doped ZnO Monolayer

الملخص EN

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.