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 in the (110) plane for (a) C and (b) N at the O-site, which is out of the vacancy. The larger red balls, the middle gray ball, and the smaller white ball denote vanadium atoms, C atom, and N atom, respectively.