Pressure-stabilized polymerization of nitrogen in manganese nitrides at ambient and high pressures
Shifeng Niu, Dan Xu, Haiyan Li, Zhen Yao, Shuang Liu, Chunguang Zhai, Kuo Hu, Xuhan Shi, Peng Wang, Bingbing Liu
Abstract
ring exhibits outstanding mechanical properties, including high incompressibility, high hardness, uniform strength in the 2-D direction and excellent ductility. Strong N-N covalent bond and weak Mn-N ionic bond interactions are observed in the predicted Mn-N compounds, and the charge transfer between the Mn and N atoms provides an important contribution to the stabilization of polymeric N-structures. All the proposed structures are metallic phases. Our results provide a deep understanding of the chemistry of transition metal polynitrides under pressure and encourage experimental synthesis of these new manganese polynitrides in future.