Vacancy-Induced Magnetism in Fluorographene: The Effect of Midgap State
Daozhi Li,
Xiaoyang Ma,
Hongwei Chu,
Ying Li,
Shengzhi Zhao,
Dechun Li
Affiliations
Daozhi Li
School of Information Science and Engineering, Shandong University, Qingdao 266237, China
Xiaoyang Ma
School of Information Science and Engineering, Shandong University, Qingdao 266237, China
Hongwei Chu
School of Information Science and Engineering, Shandong University, Qingdao 266237, China
Ying Li
Key Laboratory of Colloid and Interface Chemistry of Education Ministry, School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China
Shengzhi Zhao
School of Information Science and Engineering, Shandong University, Qingdao 266237, China
Dechun Li
School of Information Science and Engineering, Shandong University, Qingdao 266237, China
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.
