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《Materials Review》 2018-S1
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Study on Magnetic Properties and Optical Properties of 4H-SiC(001) Orientated Doping with Ni

HOU Anhong;YAN Zhengxin;ZHANG Shaohua;LI Weili;College of Science,Xi'an University of Science and Technology;  
Based on the first-principles of density functional theory,the magnetic properties of 4 H-SiC(001)orientated doping with Ni was studied.The results show that the system has weak magnetic properties relative to the surface dangling bonds before doping and it is more stable after orientated doping with Ni instead of Si.Comparing the Ni positioning replaces different amounts of C and Si atoms,it is found that the magnetic moment of the substitution C atom is greater than that of the Si atom,and odd numbers of substitutions have more magnetic moments than even number substitutions.In contrast,the replacing of one C with one Si leads to a greater magnetic moment than that of an atom alone.Considering the stability and magnetism,the simultaneous substitution of C and Si is the best choice for doping.In terms of conductivity,the photoconductivity increases as the number of Ni atoms increases.
【Fund】: 国家自然科学基金(11405127);; 陕西省科技厅自然科学基金(2015JM1027;16JK1516)
【CateGory Index】: TN304
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