High-pressure new phases of V–N compounds

Abstract

The high-pressure diagram of V–N compounds is enriched by proposed seven new stable high-pressure phases. The P-1-VN4 with the armchair N-rich structure may be quenched to ambient conditions. The formed N–N covalent bond plays an important role for the structural stability of N-chain. The charge transfer results in a V–N ionic bond interaction, which further improves the stability of N-chain structure. The P-1-VN4, P4mnc-VN8, and Immm-VN10 with the outstanding detonation properties have potential application in explosive field.