High-pressure new phases of V–N compounds

The high-pressure diagram of V–N compounds is enriched by proposed seven new stable high-pressure phases. The P-1-VN ₄ 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-VN ₄, P4 mnc-VN ₈, and Immm-VN ₁₀ with the outstanding detonation properties have potential application in explosive field.