High-pressure new phases of V-N compounds

被引：2

作者：

Shi, Xu-Han ^{[1
,2
]}

Li, Zhi-Hui ^{[1
]}

Liu, Yuanyuan ^{[1
]}

Wang, Yuanyuan ^{[1
]}

Liu, Ran ^{[1
]}

Hu, Kuo ^{[1
]}

Yao, Zhen ^{[1
]}

机构：

[1] Jilin Univ, Coll Phys, Synerget Extreme Condit High Pressure Sci Ctr, State Key Lab Superhard Mat, Changchun 130012, Peoples R China

[2] Aviat Univ Air Force, Changchun 130022, Peoples R China

来源：

CHINESE PHYSICS B | 2023年 / 32卷 / 05期

关键词：

high-pressure; N-rich V-N compounds; phase diagram; stability; DFT calculation; STRUCTURAL DIVERSITY; ELECTRONIC-STRUCTURE; POLYMERIC NITROGEN; POLYNITRIDES; NITRIDES;

D O I：

10.1088/1674-1056/acbc6d

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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.

引用

页数：6

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