Abstract
Based on first-principles calculations, we investigated the enhancement of magnetic coupling strength of two-dimensional Cr2Ge2Te6 through interfacial engineering by adsorbing three typical atoms, such as H, Cl and OH. We found that charge transfer and adsorption concentration are two key factors affecting the electronic and magnetic properties. Furthermore, different atomic adsorption produces a diversity of electronic properties, in which adsorbing H is semiconducting, while adsorbing Cl/OH is metallic. In adsorbing Cl/OH, the magnetic anisotropy energy gradually increases with the increase of the adsorption concentration, revealing that interfacial engineering can effectively modulate the electrical and magnetic properties of two-dimensional materials.
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