AUTHOR=Kang Wei , Du Xue , Wang Jintian , Ye Ziqin , Zhao Jinghong , Wang Wei , Wang Yan , Wang Lin , Liu Xiaoqing TITLE=Two-dimensional half-metallicity in transition metal atoms decorated Cr2Ge2Te6 JOURNAL=Frontiers in Physics VOLUME=11 YEAR=2023 URL=https://www.frontiersin.org/journals/physics/articles/10.3389/fphy.2023.1188513 DOI=10.3389/fphy.2023.1188513 ISSN=2296-424X ABSTRACT=

As one of the first experimentally found and naturally stable two-dimensional (2D) ferromagnetic materials, the monolayer Cr₂Ge₂Te₆ has garnered great interest due to its potential hires in electronics and spintronics. Yet, the Curie temperature of monolayer Cr₂Ge₂Te₆ is lower than the ambient temperature, severely restricting the creation of valuable devices. Using the first-principle calculations, we explored how the adsorption of 3d transition metals affects the electronic and magnetic properties of the monolayer Cr₂Ge₂Te₆ (from Sc to Zn). Our findings indicate that depending on the 3d transition metals to be adsorbed, the electronic properties of the Cr₂Ge₂Te₆ adsorption system may be adjusted from semiconductor to metal/half-metal. We found that the adsorption of Ti and Fe leads to a transformation from semiconductor to metal. While in Cr₂Ge₂Te₆@Sc, V, Co, Ni, and Cu, the absorption realizes the changes from semiconductor to half metal. Moreover, adsorption may modify the magnetic moment and Curie temperature of the adsorbed system to enhance the ferromagnetic stability of the monolayer Cr₂Ge₂Te₆. Furthermore, we are able to modulate the half-metallic of Cr₂Ge₂Te₆@Mn by means of electric fields. Hence, adsorption is a viable method for modulating the ferromagnetic half-metallic of 2D ferromagnets, paving the door for the future development of nano-electronic and spintronic devices with enhanced performance for 2D ferromagnetic materials.