Electronic and magnetic properties of semihydrogenated, fully hydrogenated monolayer and bilayer MoN2 sheets*

Project supported by the National Natural Science Foundation of China (Grant Nos. 11747168, 11604246, and 11704007), the Natural Science Foundation of Guizhou Provincial Education Department, China (Grant Nos. KY[2015]384, KY[2015]446, and KY[2017]053), the Natural Science Foundation of Guizhou Provincial Science and Technology Agency (Grant Nos. LH[2015]7232 and LH[2015]7228), and the Science Research Foundation of Tongren University, China (Grant No. trxyDH1529).

She Yan-Chao1, Wei Zhao2, Luo Kai-Wu1, Li Yong1, Zhang Yun2, †, Zhang Wei-Xi1, ‡
       

(color online) (a) Fully hydrogenated monolayer MoN2 (2 × 2 supercell). (b) Semi-hydrogenated monolayer MoN2 (2 × 2 supercell). Mo, N, and H atoms are marked in blue, red and green, respectively.