Passivation effects of phosphorus on 4H-SiC (0001) Si dangling bonds: A first-principles study

Li Wenbo¹, Li Ling², Wang Fangfang², Zheng Liu², Xia Jinghua², Qin Fuwen³, Wang Xiaolin¹, Li Yongping², Liu Rui², Wang Dejun¹, Pan Yan^{2, ‡}, Yang Fei^{2, 4, §}

(color online) Different electron densities of the stable configurations for the coverages of (a) 1/9 ML, (b) 2/9 ML, (c) 1/3 ML, (d) 4/9 ML, (e) 5/9 ML, (f) 2/3 ML, (g) 7/9 ML, (h) 8/9 ML, (i) 1 ML. The violet spheres denote phosphorus atoms.