中国物理B(英文版)2024，Vol.33Issue(5) ：542-549.DOI:10.1088/1674-1056/ad2b53

High-pressure study on calcium azide(Ca(N3)2):Bending of azide ions stabilizes the structure

武晓鑫 王颖健 李思琪 吕俊呈 王婧姝 杨丽华 张旗 刘艳清 张俊凯 贾洪声
中国物理B(英文版)2024，Vol.33Issue(5) ：542-549.DOI:10.1088/1674-1056/ad2b53
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High-pressure study on calcium azide(Ca(N3)2):Bending of azide ions stabilizes the structure

武晓鑫 1王颖健 1李思琪 1吕俊呈 1王婧姝 1杨丽华 1张旗 1刘艳清 1张俊凯 1贾洪声1
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作者信息

  • 1. Key Laboratory of Functional Materials Physics and Chemistry(Ministry of Education),College of Physics,Jilin Normal University,Changchun 130103,China;The Joint Laboratory of MXene Materials,Jilin Normal University & Jilin 11 Technology Co.,Ltd.,Changchun 130103,China
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Abstract

The high-pressure structure and elastic properties of calcium azide(Ca(N3)2)were investigated using in-situ high-pressure x-ray diffraction and Raman scattering up to 54 GPa and 19 GPa,respectively.The compressibility of Ca(N3)2 changed as the pressure increased,and no phase transition occurred within the pressure from ambient pressure up to 54 GPa.The measured zero-pressure bulk modulus of Ca(N3)2 is higher than that of other alkali metal azides,due to differences in the ionic character of their metal-azide bonds.Using CASTEP,all vibration modes of Ca(N3)2 were accurately identified in the vibrational spectrum at ambient pressure.In the high-pressure vibration study,several external modes(ext.)and internal bending modes(v2)of azide anions(N3-)softened up to～7 GPa and then hardened beyond that pressure.This evidence is consistent with the variation observed in the FE-fE data analyzed from the XRD result,where the slope of the curve changes at 7.1 GPa.The main behaviors under pressure are the alternating compression,rotation,and bending of N3-ions.The bending behavior makes the structure of Ca(N3)2 more stable under pressure.

Key words

high pressure/calcium azide/azide anions

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基金项目

Program for the Development of Science and Technology of Jilin Province,China(YDZJ202301ZYTS382)

Program for the Development of Science and Technology of Jilin Province,China(YDZJ202201ZYTS316)

Program for the Development of Science and Technology of Jilin Province,China(20230101285JC)

国家自然科学基金(11904128)

Program for Science and Technology of Education Department of Jilin Province,China(JJKH20220438KJ)

Program for Science and Technology of Education Department of Jilin Province,China(JJKH20220423KJ)

Program for the Jilin Provincial Development and Reform Commission Project(2022C040-6)

出版年

2024
中国物理B(英文版)
中国物理学会和中国科学院物理研究所

中国物理B(英文版)

CSTPCDEI
影响因子：0.995
ISSN：1674-1056
参考文献量35
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