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Tuning the structural, electronic and magnetic properties of germanane/silicane and its nanoribbons through hydrogen defect clusters

As an analogue to graphene, germanane/silicane shows a promising prospect in nanoelectronics due to its suitable bandgap, high carrier mobility, low electrical noise, and so on. In this paper, the tunable structural, electronic and magnetic properties of germanane/silicane and its nanoribbons throug...

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Published in:Physica. B, Condensed matter Condensed matter, 2024-12, Vol.694, p.416386, Article 416386
Main Authors: Wu, J.Y., Liu, G., Sun, B.Z., Shi, J., Wu, M.S., Ouyang, C.Y., Liu, S.Q.
Format: Article
Language:English
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Summary:As an analogue to graphene, germanane/silicane shows a promising prospect in nanoelectronics due to its suitable bandgap, high carrier mobility, low electrical noise, and so on. In this paper, the tunable structural, electronic and magnetic properties of germanane/silicane and its nanoribbons through hydrogen defect clusters are investigated by using first-principles calculations based on density functional theory. The results show that the defect states caused by hydrogen defect clusters can be introduced in the band structure of germanane/silicane, resulting in p-type-liked or n-type-liked doping effect. Moreover, various magnetisms such as ferromagnetism, ferrimagnetism, antiferromagnetism, can be induced and controlled by different types of hydrogen defect clusters. In particular, the corresponding magnetic moments are consistent with the predictions of Lieb theorem. Besides free-standing germanane/silicane, the same results are also shown in the cases of germanane/silicane nanoribbons, whatever it is Armchair or Zigzig and whether the edge is passivated by H or not. Such expedient and flexible way for tuning the structural, electronic and magnetic properties of germanane/silicane and its nanoribbons would be greatly helpful to the germanane/silicane-based nanoelectronics devices in the future.
ISSN:0921-4526
DOI:10.1016/j.physb.2024.416386