Optoelectronic and magnetic properties of transition metals-adsorbed GeC monolayer

The optoelectronic and magnetic behaviors of GeC monolayer after transition metals (TMs) adsorption have been systematically discussed using density functional theory. The calculated data illustrates that the optimal adsorption sites of Sc-, Ti-, V-, Cr-, Mn-, Fe-, and Co-GeC systems are all located at TGe site, while the Ni- and Cu-GeC systems are situated in TH site. The band structures of Ti-, Fe-, and Ni-GeC systems still remain nonmagnetic semiconductors, while the Sc-, Cr-, and Cu-GeC systems exhibit magnetic semiconductor behaviors, and the band gaps are 0.11 eV (Sc), 0.30 eV (Cr), and 0.57 eV (Cu), respectively. In particular, V- and Mn-GeC systems exhibit half-metallic characteristics, and Co-GeC system exhibits magnetic metal characteristics. And the magnetic moments of Sc-, V-, Cr-, Mn-, Co-, and Cu-GeC structures have been obtained to be 0.08, 1.00, 2.00, 1.00, 0.04, and 1.00 mu B, respectively. Furthermore, the charge transfer was exhibited between the GeC and TM. Especially, the work function of GeC can decrease greatly after TM adsorption, among them, the work function of Sc-GeC is 37.9% lower than that of GeC. Consequently, it indicates the usefulness of the TM-GeC system for the fabrication of spintronic and nanoelectronic devices.

Automated summary

The optoelectronic and magnetic behaviors of GeC monolayer after transition metals (TMs) adsorption have been discussed using density functional theory. The results show that different TM-GeC systems exhibit different magnetic and semiconducting properties. The charge transfer between GeC and TM is also observed. The lowered work function of GeC after TM adsorption indicates the potential use of TM-GeC system in spintronic and nanoelectronic devices.