Energetics of carbon and nitrogen impurities and their interactions with vacancy in vanadium

Hua Juan^{1, 2}, Liu Yue-Lin², Li Heng-Shuai^{1, 3}, Zhao Ming-Wen¹, Liu Xiang-Dong^{1, †,}

The charge density distributions of impurity at an octahedral position in the (010) plane: (a) C with 1nn vanadium atoms, (b) N with 1nn vanadium atoms, (c) C with 2nn vanadium atoms, (d) N with 2nn vanadium atoms.