首页|Systematical High-Pressure Study of Praseodymium Nitrides in N-Rich Region
Systematical High-Pressure Study of Praseodymium Nitrides in N-Rich Region
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We investigate high-pressure phase diagrams of Pr-N compounds by proposing five stable structures(Pnma-PrN,I4/mmm-PrN2,C2/m-PrN3,P(1)-PrN4,and R3-PrN8)and two metastable structures(P(1)-PrN6 and P(1)-PrN10).The P(1)-PrN6 with the N14-ring layer and R3-PrN8 with the N18-ring layer can be quenched to ambient conditions.For the P(1)-PrN10,the N22-ring layer structure transfers into infinite chains with the pressure quenched to ambient pressure.Remarkably,a novel polynitrogen hR8-N designed by the excision of Pr atoms from R3-PrN8 is obtained and can be quenched to ambient conditions.The N-rich structures of P(1)-PrN6,R3-PrN8,c-PrN10 and the solid pure nitrogen structure exhibit outstanding properties of energy density and explosive performance.
刘冉、刘爽、张盈、王鹏、姚震
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State Key Laboratory of Superhard Materials,College of Physics,Jilin University,Changchun 130012,China
National Key R&D Program of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of China
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