氟化碳化硅片的电子和磁性结构研究

A Study on Electronic and Magnetic Properties of the Fluorinated SiC Sheet

通过密度泛函理论研究了氟化碳化硅片的电子结构和磁性特点,碳化硅中的硅原子被氟化,结果发现氟化的碳化硅片是带隙约为1.04eV的反铁磁半导体。通过简单的氟化,实现了材料由无磁性向反铁磁的转变,调节了材料的带隙,这预示着在未来的纳米功能材料中可能的应用。

The electronic and magnetic properties of the fluorinated SiC sheet are investigated by using density functional theory.Silicon atoms are fluorinated in SiC sheet.The results show that fluorination makes SiC sheet as a antiferromagnetic semiconductor with a band gap of 1.04 eV.So,simple fluorination on SiC sheet changes material from nonmagnetism to antiferromagnetism and modulates band gap.And this indicates that the fluorinated SiC sheet may have potential applications for future functional nanodevices.