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Vacancy-Induced Magnetism in Fluorographene: The Effect of Midgap State
Daozhi Li1, Xiaoyang Ma1, Hongwei Chu1
1School of Information Science and Engineering, Shandong University, Qingdao 266237, China.
Abstract:
Based on density functional theory, we have systematically investigated the geometric, magnetic, and electronic properties of fluorographene with three types of vacancy defects. With uneven sublattice, the partial defect structures are significantly spin-polarized and present midgap electronic states. The magnetic moment is mainly contributed by the adjacent C atoms of vacancy defects. Furthermore, the strain dependence of the bandgap is analyzed and shows a linear trend with applied strain. This defect-induced tunable narrow bandgap material has great potential in electronic devices and spintronics applications.
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