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

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

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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.

high pressurecalcium azideazide anions

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

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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

Program for the Development of Science and Technology of Jilin Province,ChinaProgram for the Development of Science and Technology of Jilin Province,ChinaProgram for the Development of Science and Technology of Jilin Province,China国家自然科学基金Program for Science and Technology of Education Department of Jilin Province,ChinaProgram for Science and Technology of Education Department of Jilin Province,ChinaProgram for the Jilin Provincial Development and Reform Commission Project

YDZJ202301ZYTS382YDZJ202201ZYTS31620230101285JC11904128JJKH20220438KJJJKH20220423KJ2022C040-6

2024

10.1088/1674-1056/ad2b53

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
年,卷(期)：2024.33(5)
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