First-Principles Calculations on Magnetism Induced by Vacancies in β<sub>12</sub>-Borophene Nanosheets: Implications for Property Modulation
Qiaolu Lin, Licheng Miao, Zhengfang Qian, Yiling Sun, Renheng Wang
Abstract
Inducing, clarifying, and modulating the magnetism of borophene nanosheets are conducive for their application in spintronics and nanoelectronic devices. Here, we investigated magnetism in β12-borophene nanosheets that appear upon the introduction of particular vacancy defects based on first-principles calculations. This magnetism is caused by the asymmetrical orbital occupied state and influenced by the redistribution of localized charges. The ground state is ferromagnetic with a Curie temperature below 100 K. The interaction of magnetism is anisotropic; therefore, the magnetic moment is subjected to the concentration and distribution of vacancies and mediated by carriers and pressure.