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Chin. Phys. B, 2023, Vol. 32(5): 056103    DOI: 10.1088/1674-1056/acbc6d
CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES Prev   Next  

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
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.
Keywords:  high-pressure      N-rich V-N compounds      phase diagram      stability      DFT calculation  
Received:  03 October 2022      Revised:  12 February 2023      Accepted manuscript online:  16 February 2023
PACS:  61.50.-f (Structure of bulk crystals)  
  31.15.E-  
  81.40.Vw (Pressure treatment)  
  52.77.Fv (High-pressure, high-current plasmas)  
Corresponding Authors:  Kuo Hu, Zhen Yao     E-mail:  hukuo@jlu.edu.cn;yaozhen@jlu.edu.cn

Cite this article: 

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 2023 Chin. Phys. B 32 056103

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