论文部分内容阅读
We present a study using density function theory plus Hubbard U to investigate the control of the magnetic moment of transition metal doped graphene through H chemical decoration.It is demonstrated that the magnetic moment of a TM atom embedded in graphene is sensitive to the value of the on-site Coulomb energy.We also found that the magnetic moment of the H-decorated graphene embedded TM atom system can be changed,especially for the system of Co@SV,its magnetic moment decreased from 0.89μB to 0μB through H chemical decoration,which means the spin of system switched from "spin ON" to "spin OFF".The results may cast new light on the application of spintronics and quantum information.