Europhysics Letters, volume 101, issue 2, pages 26004
Novel high-pressure phase with pseudo-benzene “N6” molecule of LiN3
Publication type: Journal Article
Publication date: 2013-01-01
Journal:
Europhysics Letters
Quartile SCImago
Q2
Quartile WOS
Q3
Impact factor: 1.8
ISSN: 02955075, 12864854
General Physics and Astronomy
Abstract
The pressure-induced formation of a hexagonal phase (P6/m, Z = 2) of LiN3 is predicted by particle swarm optimization (PSO) structural search at zero temperature and pressure of > 34.7GPa. Compared to the ground-state insulator C2/m phase, the P6/m-LiN3 is found to possess a metallic feature dominated by the 2p(z) bands. Electron topological analysis revealed an intriguing phase change of nitrogen, from azide to novel pseudo-benzene "N-6" molecules at the formation of the P6/m phase. The occurrence of this hexagonal phase follows the polymerization of the typical linear N-3(-) anion molecular chains in the low-pressure molecular phases of LiN3 and is originated from the volume reduction favorable for a denser structure packing under compression. Copyright (C) EPLA, 2013
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Zhang M. et al. Novel high-pressure phase with pseudo-benzene “N6” molecule of LiN3 // Europhysics Letters. 2013. Vol. 101. No. 2. p. 26004.
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Zhang M., Yan H., Wei Q., Wang H., Wu Z. Novel high-pressure phase with pseudo-benzene “N6” molecule of LiN3 // Europhysics Letters. 2013. Vol. 101. No. 2. p. 26004.
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TY - JOUR
DO - 10.1209/0295-5075/101/26004
UR - https://doi.org/10.1209/0295-5075/101/26004
TI - Novel high-pressure phase with pseudo-benzene “N6” molecule of LiN3
T2 - Europhysics Letters
AU - Zhang, Meiguang
AU - Yan, Haiyan
AU - Wei, Qun
AU - Wang, Hui
AU - Wu, Zhijian
PY - 2013
DA - 2013/01/01 00:00:00
PB - IOP Publishing
SP - 26004
IS - 2
VL - 101
SN - 0295-5075
SN - 1286-4854
ER -
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@article{2013_Zhang,
author = {Meiguang Zhang and Haiyan Yan and Qun Wei and Hui Wang and Zhijian Wu},
title = {Novel high-pressure phase with pseudo-benzene “N6” molecule of LiN3},
journal = {Europhysics Letters},
year = {2013},
volume = {101},
publisher = {IOP Publishing},
month = {jan},
url = {https://doi.org/10.1209/0295-5075/101/26004},
number = {2},
pages = {26004},
doi = {10.1209/0295-5075/101/26004}
}
Cite this
MLA
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Zhang, Meiguang, et al. “Novel high-pressure phase with pseudo-benzene “N6” molecule of LiN3.” Europhysics Letters, vol. 101, no. 2, Jan. 2013, p. 26004. https://doi.org/10.1209/0295-5075/101/26004.