Modern Physics Letters B, volume 35, issue 23, pages 2150386
High-pressure new phase of AgN3
2
Aviation University of Air Force, Changchun 130022, China
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Publication type: Journal Article
Publication date: 2021-06-21
Journal:
Modern Physics Letters B
Quartile SCImago
Q3
Quartile WOS
Q2
Impact factor: 1.9
ISSN: 02179849, 17936640
Condensed Matter Physics
Statistical and Nonlinear Physics
Abstract
The structural evolutionary behaviors of AgN3 have been studied by using the particle swarm optimization structure search method combined with the density functional theory. One stable high-pressure metal polymeric phase with the [Formula: see text] space group is suggested. The enthalpy difference analysis indicates that the Ibam-AgN3 phase will transfer to the I4/mcm-AgN3 phase at 4.7 GPa and then to the [Formula: see text]-AgN3 phase at 24 GPa. The [Formula: see text]-AgN3 structure is composed of armchair–antiarmchair N-chain, in which all the N atoms are sp2 hybridization. The inherent stability of the armchair–antiarmchair chain and the anion–cation interaction between the N-chain and Ag atom induce a high stability of the [Formula: see text]-AgN3 phase, which can be captured at ambient conditions and hold its stable structure up to 1400 K. The exhibited high energy density (1.88 KJ/g) and prominent detonation properties ([Formula: see text] Km/s; [Formula: see text] GPa) of the [Formula: see text]-AgN3 phase make it a potentially high energy density material.
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Niu S. et al. High-pressure new phase of AgN3 // Modern Physics Letters B. 2021. Vol. 35. No. 23. p. 2150386.
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Niu S., Liu R., Shi X., Yao Z., Bingbing L., Lu S. High-pressure new phase of AgN3 // Modern Physics Letters B. 2021. Vol. 35. No. 23. p. 2150386.
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TY - JOUR
DO - 10.1142/s0217984921503863
UR - https://doi.org/10.1142/s0217984921503863
TI - High-pressure new phase of AgN3
T2 - Modern Physics Letters B
AU - Niu, Shifeng
AU - Liu, Ran
AU - Shi, Xuhan
AU - Yao, Zhen
AU - Bingbing, LIU
AU - Lu, Shuangchen
PY - 2021
DA - 2021/06/21 00:00:00
PB - World Scientific
SP - 2150386
IS - 23
VL - 35
SN - 0217-9849
SN - 1793-6640
ER -
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@article{2021_Niu,
author = {Shifeng Niu and Ran Liu and Xuhan Shi and Zhen Yao and LIU Bingbing and Shuangchen Lu},
title = {High-pressure new phase of AgN3},
journal = {Modern Physics Letters B},
year = {2021},
volume = {35},
publisher = {World Scientific},
month = {jun},
url = {https://doi.org/10.1142/s0217984921503863},
number = {23},
pages = {2150386},
doi = {10.1142/s0217984921503863}
}
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Niu, Shifeng, et al. “High-pressure new phase of AgN3.” Modern Physics Letters B, vol. 35, no. 23, Jun. 2021, p. 2150386. https://doi.org/10.1142/s0217984921503863.