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- Title
Optoelectronic and magnetic properties of transition metals-adsorbed GeC monolayer.
- Authors
Wang, Shaoqiang; Yang, Kunqi; Cui, Zhen
- Abstract
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 T Ge site, while the Ni- and Cu-GeC systems are situated in T H 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 μ 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.
- Subjects
MAGNETIC transitions; MAGNETIC properties; BAND gaps; MAGNETIC semiconductors; DENSITY functional theory; COPPER-titanium alloys; TRANSITION metal oxides
- Publication
Modern Physics Letters B, 2022, Vol 36, Issue 34, p1
- ISSN
0217-9849
- Publication type
Article
- DOI
10.1142/S0217984922501822