Citation

Yeoh, Keat Hoe and Yoon, Tiem Leong and Ong, Duu Sheng and Lim, Thong Leng and Zuntu Abdullahi, Yusuf (2017) First-principles studies on the effects of halogen adsorption on monolayer antimony. Physical Chemistry Chemical Physics, 19 (37). pp. 25786-25795. ISSN 1463-9076

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Abstract

Using first-principles calculations, we carry out systematic studies on the electronic, magnetic and structural properties of halogenated β-phase antimonene. We consider two different levels of halogen adatom coverage i.e. Θ = 1/8 and Θ = 1/18. It is found that F, Cl and Br adatoms act as acceptors whereas the I adatom acts as a donor. For a high coverage of Θ = 1/8, halogenated β-phase antimonene exhibits metallic characteristics. With a lower coverage of Θ = 1/18, through the adsorption of F, Cl and Br the semiconducting unstrained antimonene becomes metallic. In contrast, I-adsorbed antimonene remains semiconducting but exhibits magnetic behavior. We further investigate the effects of bi-axial strain on the halogenated β-phase antimonene. It is found that bi-axial strain can only induce ferromagnetism on the halogenated antimonene at Θ = 1/18. However, the ferromagnetism is suppressed when the applied strain is high. We uncover that the emergence of strain-dependent magnetism is attributed to the presence of localized states in the bandgap resulting from collective effects of bi-axial strain and the adsorption of halogen atoms.

Item Type:	Article
Uncontrolled Keywords:	Halogens
Subjects:	Q Science > QE Geology
Divisions:	Faculty of Engineering and Technology (FET)
Depositing User:	Ms Suzilawati Abu Samah
Date Deposited:	30 Jul 2020 03:46
Last Modified:	30 Jul 2020 03:46
URII:	http://shdl.mmu.edu.my/id/eprint/7007

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