Systematical High-Pressure Study of Praseodymium Nitrides in N-Rich Region  

作　　者：刘冉 刘爽 张盈 王鹏 姚震 Ran Liu;Shuang Liu;Ying Zhang;Peng Wang;Zhen Yao(State Key Laboratory of Superhard Materials,College of Physics,Jilin University,Changchun 130012,China)

机构地区：[1]State Key Laboratory of Superhard Materials,College of Physics,Jilin University,Changchun 130012,China

出　　处：《Chinese Physics Letters》2024年第6期67-87,共21页中国物理快报（英文版）

基　　金：financially supported by the National Key R&D Program of China(Grant No.2023YFA1406200);the National Natural Science Foundation of China(Grant Nos.12174143 and U2032215)。

摘　　要：We investigate high-pressure phase diagrams of Pr–N compounds by proposing five stable structures(PnmaPr N,Ⅰ4/mmm-PrN_(2),C2/m-PrN_(3),P■-PrN_(4),and R3-PrN_(8))and two metastable structures(P■-PrN_(6)and P■-PrN_(10)).The P■-PrN_(6)with the N14-ring layer and R3-PrN_(8)with the N18-ring layer can be quenched to ambient conditions.For the P■-PrN_(10),the N_(22)-ring layer structure transfers into infinite chains with the pressure quenched to ambient pressure.Remarkably,a novel polynitrogen h R8-N designed by the excision of Pr atoms from R3-PrN_(8)is obtained and can be quenched to ambient conditions.The N-rich structures of P■-PrN_(6),R3-PrN_(8),c-PrN_(10)and the solid pure nitrogen structure exhibit outstanding properties of energy density and explosive performance.

关 键 词：AMBIENT STRUCTURE LAYER 

分 类 号：O469[理学—凝聚态物理]