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High-pressure study on calcium azide (Ca(N$_{\bf 3}$)$_{\bf 2}$): Bending of azide ions stabilizes the structure |
| Xiaoxin Wu(武晓鑫)1,2, Yingjian Wang(王颖健)1,2, SiqiLi(李思琪)1,2, Juncheng Lv(吕俊呈)1,2, JingshuWang(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 HongshengJia(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 |
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Abstract The high-pressure structure and elastic properties of calcium azide(Ca(N$_{3}$)$_{2}$) were investigated using in-situ high-pressure x-ray diffractionand Raman scattering up to 54 GPa and 19 GPa, respectively. Thecompressibility of Ca(N$_{3}$)$_{2}$ changed as the pressure increased, andno phase transition occurred within the pressure from ambient pressure up to 54 GPa. The measured zero-pressure bulk modulus of Ca(N$_{3}$)$_{2 }$ ishigher than that of other alkali metal azides, due to differences in theionic character of their metal-azide bonds. Using CASTEP, all vibrationmodes of Ca(N$_{3}$)$_{2}$ were accurately identified in the vibrationalspectrum at ambient pressure. In the high-pressure vibration study, severalexternal modes (ext.) and internal bending modes ($\nu _2$) of azideanions (N$_{3}^{-}$) softened up to $\sim 7$ GPa and then hardenedbeyond that pressure. This evidence is consistent with the variationobserved in the $F_{\rm E}$-$f_{\rm E}$ data analyzed from the XRD result, where theslope of the curve changes at 7.1 GPa. The main behaviors under pressure arethe alternating compression, rotation, and bending of N$_{3}^{-}$ ions.The bending behavior makes the structure of Ca(N$_{3}$)$_{2}$ more stableunder pressure.
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Received: 18 December 2023
Revised: 05 February 2024
Accepted manuscript online:
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PACS:
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62.50.-p
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(High-pressure effects in solids and liquids)
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| Fund: Project supported financially by the Program for the Development of Science and Technology ofJilin Province, China (Grant Nos. YDZJ202301ZYTS382,YDZJ202201ZYTS316, and 20230101285JC), the NationalNatural Science Foundation of China (Grant No. 11904128),the Program for Science and Technology of Education Department of Jilin Province, China (Grant Nos. JJKH20220438KJand JJKH20220423KJ), and the Program for the Jilin Provincial Development and Reform Commission Project (GrantNo. 2022C040-6). |
Corresponding Authors:
Junkai Zhang,E-mail:zjk8688@126.com;Hongsheng Jia,E-mail:jiahs@jlnu.edu.cn
E-mail: zjk8688@126.com;jiahs@jlnu.edu.cn
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Cite this article:
Xiaoxin Wu(武晓鑫), Yingjian Wang(王颖健), SiqiLi(李思琪), Juncheng Lv(吕俊呈), JingshuWang(王婧姝), Lihua Yang(杨丽华), Qi Zhang(张旗), Yanqing Liu(刘艳清), Junkai Zhang(张俊凯), and HongshengJia(贾洪声) High-pressure study on calcium azide (Ca(N$_{\bf 3}$)$_{\bf 2}$): Bending of azide ions stabilizes the structure 2024 Chin. Phys. B 33 056201
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[1] Curtius T 1890 Berichte der deutschen chemischen Gesellschaft 23 3023
[2] Evans B L, Yoffe A D and Gray P 1959 Chem. Rev. 59 515
[3] Gray P 1963 Quarterly Reviews, Chemical Society 17 441
[4] Ti S S, Kettle S F A and Ra 1977 Journal of Raman Spectroscopy 6 5
[5] Evans B L and Yoffe A D 1957 Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences 238 568
[6] Rao K R 1970 J. Chem. Phys. 53 4661
[7] Rafizadeh H A, Yip S and Prask H 1972 J. Chem. Phys. 56 5377
[8] Younk E H and Kunz A B 1997 Int. J. Quantum Chem. 63 615
[9] Badgujar D M, Talawar M B, Asthana S N and Mahulikar P P 2008 Journal of Hazardous Materials 151 289
[10] Eremets M I, Popov M Y, Trojan I A, Denisov V N, Boehler R and Hemley R J 2004 J. Chem. Phys. 120 10618
[11] Eremets M I, Hemley R J, Mao H K and Gregoryanz E 2001 Nature 411 170
[12] Goncharov A F, Gregoryanz E, Mao H K, Liu Z and Hemley R J 2000 Phys. Rev. Lett. 85 1262
[13] Medvedev S A, Trojan I A, Eremets M I, Palasyuk T, Klapötke T M and Evers J 2009 J. Phys.: Condens. Matter 21 195404
[14] Zhu H, Zhang F, Ji C, Hou D, Wu J, Hannon T and Ma Y 2013 J. Appl. Phys. 113 033511
[15] Ji C, Zheng R, Hou D, Zhu H, Wu J, Chyu M C and Ma Y 2012 J. Appl. Phys. 111 112613
[16] Li D, Wu X, Jiang J, Zhang J, Cui Q, Zhu H and Wang X 2014 Appl. Phys. Lett. 105 071903
[17] Hou D, Zhang F, Ji C, Hannon T, Zhu H, Wu J and Ma Y 2011 Phys. Rev. B 84 064127
[18] Hou D, Zhang F, Ji C, Hannon T, Zhu H, Wu J, Levitas V I and Ma Y 2011 J. Appl. Phys. 110 23524
[19] Wu X, Cui H, Zhang J, Cong R, Zhu H and Cui Q 2013 Appl. Phys. Lett. 102 121902
[20] Wu X, Ma F, Ma C, Cui H, Liu Z, Zhu H, Wang X and Cui Q 2014 J. Chem. Phys. 141 024703
[21] Zhu H, Han X, Zhu P, Wu X, Chen Y, Li M, Li X and Cui Q 2016 J. Phys. Chem. C 120 12423
[22] Dong F, Cheng X and Ge S 2007 J. Theor. Comput. Chem. 06 487
[23] Garner W E and Maggs J 1939 Proceedings of the Royal Society A 172 299
[24] Deb S K 1963 Transactions of the Faraday Society 59 1423
[25] Zhu W, Xu X and Xiao H 2007 J. Phys. Chem. Solids 68 1762
[26] Zhu W and Xiao H 2010 Structural Chemistry 21 657
[27] Zhu W, Xiao J and Xiao H 2006 J. Phys. Chem. B 110 9856
[28] Krischner H and Kelz G 1982 Zeitschrift für anorganische und allge-meine Chemie 494 203
[29] Reckeweg O and Simon A 2003 Zeitschrift für Naturforschung B 58 1097
[30] Mao H K, Xu J and Bell P M 1986 Journal of Geophysical Research: Solid Earth 91 4673
[31] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[32] Mauer F A, Hubbard C R and Hahn T 1973 J. Chem. Phys. 59 3770
[33] Angel R J 2000 Reviews in Mineralogy and Geochemistry 41 35
[34] Gomis O, Santamaría-Pérez D, Vilaplana R, Luna R, Sans J A, Manjón F J, Errandonea D, Pérez-Gonz ález E, Rodríguez-Hernandez P, Muñoz A, Tiginyanu I M and Ursaki V V 2014 J. Alloys Compd. 583 70
[35] Panchal V, López-Moreno S, Santamar ía-Pérez D, Errandonea D, Manjon F J, Rodríguez-Hernandez P, Muñoz A, Achary S N and Tyagi A K 2011 Phys. Rev. B 84 024111 |
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