High-pressure new phases of V-N compounds

doi:10.1088/1674-1056/acbc6d

中国物理B ›› 2023, Vol. 32 ›› Issue (5): 56103-056103.doi: 10.1088/1674-1056/acbc6d

High-pressure new phases of V-N compounds

Xu-Han Shi(时旭含)^1,2, Zhi-Hui Li(李志慧)¹, Yuanyuan Liu(刘媛媛)¹, Yuanyuan Wang(王元元)¹, Ran Liu(刘冉)¹, Kuo Hu(胡阔)^1,†, and Zhen Yao(姚震)^1,‡

1 Synergetic Extreme Condition High-Pressure Science Center, State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China;
2 Aviation University of Air Force, Changchun 130022, China

收稿日期:2022-10-03 修回日期:2023-02-12 接受日期:2023-02-16 出版日期:2023-04-21 发布日期:2023-04-28
通讯作者: Kuo Hu, Zhen Yao E-mail:hukuo@jlu.edu.cn;yaozhen@jlu.edu.cn

High-pressure new phases of V-N compounds

Xu-Han Shi(时旭含)^1,2, Zhi-Hui Li(李志慧)¹, Yuanyuan Liu(刘媛媛)¹, Yuanyuan Wang(王元元)¹, Ran Liu(刘冉)¹, Kuo Hu(胡阔)^1,†, and Zhen Yao(姚震)^1,‡

1 Synergetic Extreme Condition High-Pressure Science Center, State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China;
2 Aviation University of Air Force, Changchun 130022, China

Received:2022-10-03 Revised:2023-02-12 Accepted:2023-02-16 Online:2023-04-21 Published:2023-04-28
Contact: Kuo Hu, Zhen Yao E-mail:hukuo@jlu.edu.cn;yaozhen@jlu.edu.cn

1. 附件.pdf(563KB)

摘要/Abstract

摘要： 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$_{4}$, $P4mnc$-VN$_{8}$, and $Immm$-VN$_{10}$ with the outstanding detonation properties have potential application in explosive field.

关键词: high-pressure, N-rich V-N compounds, phase diagram, stability, DFT calculation

Abstract: 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$_{4}$, $P4mnc$-VN$_{8}$, and $Immm$-VN$_{10}$ with the outstanding detonation properties have potential application in explosive field.

Key words: high-pressure, N-rich V-N compounds, phase diagram, stability, DFT calculation

中图分类号: (Structure of bulk crystals)

61.50.-f

81.40.Vw (Pressure treatment) 52.77.Fv (High-pressure, high-current plasmas)

Xu-Han Shi(时旭含), Zhi-Hui Li(李志慧), Yuanyuan Liu(刘媛媛), Yuanyuan Wang(王元元), Ran Liu(刘冉), Kuo Hu(胡阔), and Zhen Yao(姚震). High-pressure new phases of V-N compounds[J]. 中国物理B, 2023, 32(5): 56103-056103.

Xu-Han Shi(时旭含), Zhi-Hui Li(李志慧), Yuanyuan Liu(刘媛媛), Yuanyuan Wang(王元元), Ran Liu(刘冉), Kuo Hu(胡阔), and Zhen Yao(姚震). High-pressure new phases of V-N compounds[J]. Chin. Phys. B, 2023, 32(5): 56103-056103.

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High-pressure new phases of V-N compounds

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