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Scientific Reports, volume 5, issue 1, publication number 16677

Layered polymeric nitrogen in RbN3 at high pressures

Xiaoli Wang ^{1, 2}

Jianfu Li ³

Ning Xu ⁴

Hongyang Zhu ⁵

Ziyu Hu ²

Li Chen ¹

Hide authors affiliations Show authors affiliations: 5 affiliations

Institute of Condensed Matter Physics, Linyi University, Linyi, P.R. China |

Beijing Computational Science Research Center, Beijing, P.R. China |

School of science, Linyi University, Linyi, P.R. China |

⁴

Department of Physics, Yancheng Institute of Technology, Yancheng, China |

⁵

State key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, P.R. China |

Publication type: Journal Article

Publication date: 2015-11-13

Springer Nature

Journal: Scientific Reports

Quartile SCImago

Quartile WOS

Impact factor: 4.6

ISSN: 20452322, 20452322

DOI: 10.1038/srep16677

Copy DOI

PubMed ID: 26564812

Multidisciplinary

Abstract

The structural evolutionary behaviors of nitrogen in RbN3 have been studied up to 300 GPa using a particle swarm optimization structure searching method combined with density functional calculations. Three stable new phases with P-1, P6/mmm and C2/m structure at pressure of 30, 50 and 200 GPa are identified for the first time. The analysis of the crystal structures of three new predicated phases reveals that the transition of N3− ions goes from linear molecules to polymeric chains, benzene-like rings and then to polymeric layers induced by pressure. The electronic structures of three predicted phases reveal that the structural changes are accompanied and driven by the change of orbital hybridization of N atoms from sp to sp2 and finally to partial sp3. Most interestingly, the Rb atoms show obvious transition metal-like properties through the occupation of 4d orbitals in high-pressure phases. Moreover, the Rb atoms are characterized by strong hybridization between 4d orbitals of Rb and 2p orbitals of N in C2/m structure. Our studies complete the structural evolution of RbN3 under pressure and reveal for the first time that the Rb atoms in rubidium nitride possess transition element-like properties under pressure.

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Citations by journals

	1 2 3 4 5 6
Journal of Physical Chemistry C	Journal of Physical Chemistry C, 6, 15.38% Journal of Physical Chemistry C 6 publications, 15.38%
Inorganic Chemistry	Inorganic Chemistry, 2, 5.13% Inorganic Chemistry 2 publications, 5.13%
Journal of Chemical Physics	Journal of Chemical Physics, 2, 5.13% Journal of Chemical Physics 2 publications, 5.13%
Journal of Physics Condensed Matter	Journal of Physics Condensed Matter, 2, 5.13% Journal of Physics Condensed Matter 2 publications, 5.13%
Journal of Raman Spectroscopy	Journal of Raman Spectroscopy, 2, 5.13% Journal of Raman Spectroscopy 2 publications, 5.13%
RSC Advances	RSC Advances, 2, 5.13% RSC Advances 2 publications, 5.13%
Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics, 2, 5.13% Physical Chemistry Chemical Physics 2 publications, 5.13%
Applied Physics Letters	Applied Physics Letters, 1, 2.56% Applied Physics Letters 1 publication, 2.56%
Matter and Radiation at Extremes	Matter and Radiation at Extremes, 1, 2.56% Matter and Radiation at Extremes 1 publication, 2.56%
Communications Chemistry	Communications Chemistry, 1, 2.56% Communications Chemistry 1 publication, 2.56%
Nature Communications	Nature Communications, 1, 2.56% Nature Communications 1 publication, 2.56%
Results in Physics	Results in Physics, 1, 2.56% Results in Physics 1 publication, 2.56%
Journal of Physics Communications	Journal of Physics Communications, 1, 2.56% Journal of Physics Communications 1 publication, 2.56%
Europhysics Letters	Europhysics Letters, 1, 2.56% Europhysics Letters 1 publication, 2.56%
New Journal of Physics	New Journal of Physics, 1, 2.56% New Journal of Physics 1 publication, 2.56%
Journal of Physical Chemistry B	Journal of Physical Chemistry B, 1, 2.56% Journal of Physical Chemistry B 1 publication, 2.56%
Journal of Physical Chemistry Letters	Journal of Physical Chemistry Letters, 1, 2.56% Journal of Physical Chemistry Letters 1 publication, 2.56%
Chinese Physics B	Chinese Physics B, 1, 2.56% Chinese Physics B 1 publication, 2.56%
Nanoscale	Nanoscale, 1, 2.56% Nanoscale 1 publication, 2.56%
Journal of Materials Chemistry C	Journal of Materials Chemistry C, 1, 2.56% Journal of Materials Chemistry C 1 publication, 2.56%
Chemical Science	Chemical Science, 1, 2.56% Chemical Science 1 publication, 2.56%
Dalton Transactions	Dalton Transactions, 1, 2.56% Dalton Transactions 1 publication, 2.56%
Solid State Communications	Solid State Communications, 1, 2.56% Solid State Communications 1 publication, 2.56%
Vacuum	Vacuum, 1, 2.56% Vacuum 1 publication, 2.56%
Microstructures	Microstructures, 1, 2.56% Microstructures 1 publication, 2.56%
Chinese Journal of Physics	Chinese Journal of Physics, 1, 2.56% Chinese Journal of Physics 1 publication, 2.56%
Physical Review B	Physical Review B, 1, 2.56% Physical Review B 1 publication, 2.56%
Russian Chemical Reviews	Russian Chemical Reviews, 1, 2.56% Russian Chemical Reviews 1 publication, 2.56%
	1 2 3 4 5 6

Citations by publishers

	2 4 6 8 10
American Chemical Society (ACS)	American Chemical Society (ACS), 10, 25.64% American Chemical Society (ACS) 10 publications, 25.64%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 8, 20.51% Royal Society of Chemistry (RSC) 8 publications, 20.51%
IOP Publishing	IOP Publishing, 6, 15.38% IOP Publishing 6 publications, 15.38%
American Institute of Physics (AIP)	American Institute of Physics (AIP), 4, 10.26% American Institute of Physics (AIP) 4 publications, 10.26%
Elsevier	Elsevier, 4, 10.26% Elsevier 4 publications, 10.26%
Springer Nature	Springer Nature, 2, 5.13% Springer Nature 2 publications, 5.13%
Wiley	Wiley, 2, 5.13% Wiley 2 publications, 5.13%
OAE Publishing Inc.	OAE Publishing Inc., 1, 2.56% OAE Publishing Inc. 1 publication, 2.56%
American Physical Society (APS)	American Physical Society (APS), 1, 2.56% American Physical Society (APS) 1 publication, 2.56%
Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii	Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii, 1, 2.56% Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii 1 publication, 2.56%
	2 4 6 8 10

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Wang X. et al. Layered polymeric nitrogen in RbN3 at high pressures // Scientific Reports. 2015. Vol. 5. No. 1. 16677

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Wang X., Li J., Xu N., Zhu H., Hu Z., Chen L. Layered polymeric nitrogen in RbN3 at high pressures // Scientific Reports. 2015. Vol. 5. No. 1. 16677

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RIS Copy

TY - JOUR

DO - 10.1038/srep16677

UR - https://doi.org/10.1038/srep16677

TI - Layered polymeric nitrogen in RbN3 at high pressures

T2 - Scientific Reports

AU - Wang, Xiaoli

AU - Li, Jianfu

AU - Xu, Ning

AU - Zhu, Hongyang

AU - Hu, Ziyu

AU - Chen, Li

PY - 2015

DA - 2015/11/13 00:00:00

PB - Springer Nature

IS - 1

VL - 5

PMID - 26564812

SN - 2045-2322

ER -

BibTex

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@article{2015_Wang,

author = {Xiaoli Wang and Jianfu Li and Ning Xu and Hongyang Zhu and Ziyu Hu and Li Chen},

title = {Layered polymeric nitrogen in RbN3 at high pressures},

journal = {Scientific Reports},

year = {2015},

volume = {5},

publisher = {Springer Nature},

month = {nov},

url = {https://doi.org/10.1038/srep16677},

number = {1},

doi = {10.1038/srep16677}

}

Found error?

Publisher

Springer Nature

Journal

Scientific Reports

Quartile SCImago

Quartile WOS

Impact factor

4.6

ISSN

20452322 (Print)
20452322 (Electronic)