Ferromagnetism induced by vacancies in (N, Al)-codoped 6H-SiC. (February 2019)

• Record Type: Journal Article
• Authors: Lin, Long; Zhu, Linghao; Zhao, Ruiqi; Tao, Hualong; Huang, Jingtao; Zhang, Zhanying
• Is Part Of: Solid state communications. Volume 288(2019)
• Page Start: 28
• Page End: 32
• Publication Date: 2019-02
• Subjects: First principles -- Dilute magnetic semiconductors -- Electronic structures -- Magnetic properties -- 6H-SiC; Solid state chemistry -- Periodicals; Solid state physics -- Periodicals; Chimie de l'état solide -- Périodiques; Physique de l'état solide -- Périodiques; 530.41
• DOI: 10.1016/j.ssc.2018.11.009
• Languages: English
• ISSNs: 0038-1098

Abstract

Abstract: The electronic structures and magnetic properties of 6H-SiC doped with N, C vacancies ( V C ), Si vacancies ( V Si ) and Al are studied by first principles calculations. The results indicate that the N substituting C in 6H-SiC cannot order magnetism but V Si can introduce magnetic moments effectively. Ferromagnetism coupling is obtained in (N, 2 V Si )-codoped 6H-SiC. The ferromagnetism can be mainly attributed to the interactions between the 2 p orbitals of C atoms around Si vacancies. More interestingly, substituting Si with Al can enhance the ferromagnetic states in 6H-SiC in neutral states. We also studied the effect of charge on magnetic properties and provide an effective method of tuning magnetism in 6H-SiC. Highlights: The doping with NSi, VSi and (NC, VSi ) can induce ferromagnetism in 6H-SiC crystal. Ferromagnetism can be enhanced by Al substituting and charge. The spin polarization is proposed as the origin of ferromagnetism.