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Tunable band gap and enhanced ferromagnetism by surface adsorption in monolayer Cr2Ge2Te6

Two-dimensional (2D) van der Waals (vdW) materials have attracted significant attention for their promising applications in spintronic devices. Here, using first-principles calculations and renormalized spin-wave theory, we investigate the influence of surface adsorption (H and alkali metals) on the...

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Bibliographic Details
Main Authors: Song, Changsheng (Author) , Lu, Yi (Author)
Format: Article (Journal)
Language:English
Published: 25 June 2019
In: Physical review
Year: 2019, Volume: 99, Issue: 21
ISSN:2469-9969
DOI:10.1103/PhysRevB.99.214435
Online Access:Verlag, Volltext: https://doi.org/10.1103/PhysRevB.99.214435
Verlag, Volltext: https://link.aps.org/doi/10.1103/PhysRevB.99.214435
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Author Notes:Changsheng Song, Wen Xiao, Lei Li, Yi Lu, Peiheng Jiang, Chaorong Li, Aixi Chen, and Zhicheng Zhong

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520 |a Two-dimensional (2D) van der Waals (vdW) materials have attracted significant attention for their promising applications in spintronic devices. Here, using first-principles calculations and renormalized spin-wave theory, we investigate the influence of surface adsorption (H and alkali metals) on the bandgap and ferromagnetism of monolayer Cr2Ge2Te6. We find that H-atom adsorption maintains the bandgap of Cr2Ge2Te6 around 0.95 eV but leads to a nearly indirect-to-direct band gap transition, while alkali-metal adsorption removes the bandgap and induces metallicity. More importantly, both H and alkali-metal adsorption surprisingly make the magnetic anisotropy energy four times larger than that of pristine Cr2Ge2Te6, leading to an increase of Tc by about 33%. Our findings of adsorption-controlled bandgap and magnetism in a 2D vdW magnet may open up opportunities for potential applications for new-generation magnetic memory storage, sensors, and spintronics. 
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