Investigation of ferromagnetism in Al-doped 4H-SiC by density functional theory

► We find out the possible theoretical origin of ferromagnetism in Al-doped 4H-SiC using first-principles methods and verify the experiments' data. ► There is no any d electron in Al-doped 4H-SiC and p electrons dominion the ferromagnetism in this system. ► Silicon vacancy has high formation energy but it is one of the important factors of the ferromagnetism in Al-doped 4H-SiC.