中国物理B ›› 2024, Vol. 33 ›› Issue (5): 56201-056201.doi: 10.1088/1674-1056/ad2b53
High-pressure study on calcium azide (Ca(N3)2): Bending of azide ions stabilizes the structure
Xiaoxin Wu(武晓鑫)1,2, Yingjian Wang(王颖健)1,2, Siqi Li(李思琪)1,2, Juncheng Lv(吕俊呈)1,2, Jingshu Wang(王婧姝)1,2, Lihua Yang(杨丽华)1,2, Qi Zhang(张旗)1,2, Yanqing Liu(刘艳清)1,2, Junkai Zhang(张俊凯)1,2,†, and Hongsheng Jia(贾洪声)1,2
- 1 Key Laboratory of Functional Materials Physics and Chemistry (Ministry of Education), College of Physics, Jilin Normal University, Changchun 130103, China;
2 The Joint Laboratory of MXene Materials, Jilin Normal University & Jilin 11 Technology Co., Ltd., Changchun 130103, China
High-pressure study on calcium azide (Ca(N3)2): Bending of azide ions stabilizes the structure
Xiaoxin Wu(武晓鑫)1,2, Yingjian Wang(王颖健)1,2, Siqi Li(李思琪)1,2, Juncheng Lv(吕俊呈)1,2, Jingshu Wang(王婧姝)1,2, Lihua Yang(杨丽华)1,2, Qi Zhang(张旗)1,2, Yanqing Liu(刘艳清)1,2, Junkai Zhang(张俊凯)1,2,†, and Hongsheng Jia(贾洪声)1,2
- 1 Key Laboratory of Functional Materials Physics and Chemistry (Ministry of Education), College of Physics, Jilin Normal University, Changchun 130103, China;
2 The Joint Laboratory of MXene Materials, Jilin Normal University & Jilin 11 Technology Co., Ltd., Changchun 130103, China
摘要： The high-pressure structure and elastic properties of calcium azide (Ca(N$_{3}$)$_{2}$) 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(N$_{3}$)$_{2}$ 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(N$_{3}$)$_{2 }$ 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(N$_{3}$)$_{2}$ were accurately identified in the vibrational spectrum at ambient pressure. In the high-pressure vibration study, several external modes (ext.) and internal bending modes ($\nu _2$) of azide anions (N$_{3}^{-}$) softened up to $\sim 7$ GPa and then hardened beyond that pressure. This evidence is consistent with the variation observed in the $F_{\rm E}$-$f_{\rm E}$ 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 N$_{3}^{-}$ ions. The bending behavior makes the structure of Ca(N$_{3}$)$_{2}$ more stable under pressure.
中图分类号: (High-pressure effects in solids and liquids)
- 62.50.-p