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) Calculated energy bands for stable structure of AB stacking MoN2 in the cases (a) without orbital projections and (b) with orbital projections. Orbital projections for 2px (red square), 2py (green triangle), and 2pz (blue circle) on energy bands of MoN2 are also indicated.