原位高压表征技术与压致相变材料研究

In-Situ High-pressure Characterization Techniques and Research on Pressure-induced Phase Transition Materials

摘要

高压诱导的结构相变是发现新物相、 理解极端条件下物质行为的重要途径. 然而, 相变过程中的路径、中间态和动力学长期处于“黑箱”状态, 需要原位探测技术予以揭示. 本文综合评述了高压固体化学中结构相变的原位探测技术及机理研究进展. 首先, 按信息层次分类介绍了X射线衍射、 中子衍射、 X射线吸收精细结构、 对分布函数、 拉曼光谱、 红外光谱、 紫外-可见吸收光谱、 荧光光谱及二次谐波等原位表征方法的原理与适用范围, 并讨论了超快时间分辨技术和机器学习辅助数据分析等新兴方向. 其次, 以位移型相变(SrTiO₃)、 重构型相变(石墨-金刚石、 Co₃P₂O₈)、 压致非晶化(冰)、 等结构相变(Ce)及有序-无序相变(IMMH_yPbBr₄)为典型案例, 展示了原位技术如何揭示压力诱导结构演化的微观机理. 最后, 总结了当前在时间分辨率和数据解释等方面面临的瓶颈, 并对多技术联用、 超快探测和机器学习等未来发展方向进行了展望.

Abstract

High-pressure-induced structural phase transitions constitute a crucial pathway for discovering new phases and understanding material behaviors under extreme conditions. However, the transition pathways, intermediate states, and dynamics have long remained in a "black box", necessitation in situ probing techniques for elucidation. This article reviews the recent progress inin situ probing techniques and mechanistic studies of structural phase transitions in high-pressure solid-state chemistry. First, the principles and applicable scopes ofin situcharacterization methods are introduced according to information levels, including X-ray diffraction, neutron diffraction, X-ray absorption fine structure, pair distribution function, Raman spectroscopy, infrared spectroscopy, ultraviolet-visible absorption spectroscopy, fluorescence spectroscopy, and second harmonic generation. Emerging directions such as ultrafast time-resolved techniques and machine-learning-assisted data analysis are also discussed. Second, using displacive phase transitions (SrTiO₃), reconstructive phase transitions (graphite-diamond, Co₃P₂O₈), pressure-induced amorphization (ice), isostructural phase transitions (Ce), and order-disorder phase transitions (IMMH_yPbBr₄) as representative examples, we demonstrate how in situ techniques reveal the microscopic mechanisms of pressure-driven structural evolution. Finally, current bottlenecks in time resolution and data interpretation are summarized, and future directions including multi-technique integration, ultrafast probing, and machine learning are prospected.

关键词

压致相变 / 原位表征 / 金刚石压砧 / 同步辐射

Key words

Pressure-induced phase transition / In-situ characterization / Diamond anvil cell (DAC) / Synchrotron radiation

参考文献

[1] Shen G., Mao H., Rep. Prog. Phys., 2017, 80(1), 016101

[2] Takahashi T., Mao H., Bassett W., Science, 1969, 165(3900), 1352-1353

[3] Taylor L., Mao H., Science, 1970, 170(3960), 850-851

[4] Turnbull R., Martin J., Liang A., Anichtchenko D., Popescu C., Rao K., Achary S., Munoz A., Panchal V., Errandonea D., Dalton Trans., 2024, 53(34), 14278-14288

[5] Ma S., Baxter S., Park C., Chariton S., Santos A., Molaison J., Wilkinson A., Chem. Mater., 2025, 37(4), 1657-1666

[6] Zhou J., Alonso J., Muonz A., Fernandez M., Goodenough J., Phys. Rev. Lett., 2011, 106(5), 057201

[7] Shi N., Fan L., Xu Y., Yin W., Chen H., Yuan B., Zhou C., Chen J., Small, 2024, 20(50), 2312289

[8] Rejnhardt P., Gajda R., Woinska M., Parafiniuk J., Giester G., Miletich R., Wu Y., Poręba T., Mezouar M., Sutuła S., Góral T., Dera P., Woźniak K., J. Am. Chem. Soc., 2025, 147(30), 26830-26843

[9] Ward M., Bull C., Funnell N., Warren M., Oswald I., Int. J. Pharm., 2023, 647, 123514

[10] Chen J., Hu Q., Fang L., He D., Chen X., Xie L., Chen B., Li X., Ni X., Fan C., Liang A., Rev. Sci. Instrum., 2018, 89(5), 053906

[11] Fei Y., Zhang L., Corgne A., Watson H., Ricolleau A., Meng Y., Prakapenka V., Geophys. Res. Lett., 2007, 34(17), L17307

[12] Jacobsen M., Velisavljevic N., Dattelbaum D., Chellappa R., Park C., J. Phys. Condens. Matter, 2016, 28(15), 155401

[13] Li H., He H., Guo Z., Chen D., J. Alloys Compd., 2025, 1039, 183360

[14] Grzanka E., Stel’ makh S., Gierlotka S., Zhao Y., Palosz B., Palosz W., J. Alloys Compd., 2004, 382(1/2), 133-137

[15] Hong X., Ehm L., Zhong Z., Ghose S., Duffy T., Weidner D., Sci. Rep., 2016, 6, 21434

[16] Celeste A., Girdzis S., Cladek B., Deschene C., Wolf N., Chapman K., Karunadasa H., Tucker M., Mao W., Lin Y., Nat. Commun., 2025, 16, 7631

[17] Li C., Liu K., Jiang D., Jiang Z., Wen T., Yue B., Wang Y., Inorg. Chem., 2022, 61(30), 11923-11931

[18] Yao H., Yao H., Huang H., Zhang L., Cui R., Guo X., Cheng H., Li Y., Gao X., Zhao L., Sun B., Nano Today, 2021, 37, 101079

[19] Zheng Z., Liang B., Gao J., Ren J., Liu Z., Hou X., Sun J., Mei S., Ceram. Int., 2023, 49(20), 32521-32527

[20] Yuan Y., Yinwei L., Guoyong F., Guangtao L., Cuiying P., Xin L., Haiyan Z., Ke Y., Lin W., Nat. Sci. Rev., 2019, 6(6), 524-531

[21] Canasa P., King D., Cifligu P., Sanchez A., Chen S., Han H., Malik T., Billinghurst B., Zhao J., Park C., Rossman G., Pravica., Bhowmik P., Evlyukhin E., Small Sci., 2024, 4(8), 2400106

[22] Zhang S. H., Li T., Zhang X. J., Chen Z. Q. , Chin. J. High Press. Phys., 2026, 40(2), 021101

[23] (张升瀚, 李婷, 张晓军, 陈志强 . 高压物理学报, 2026, 40(2), 021101)

[24] Jiang D., Song H., Wen T., Jiang Z., Li C., Liu K., Yang W., Huang H., Wang Y., Angew. Chem. Int. Ed., 2022, 61(9), e202116656

[25] Jiang D., Jiang X., Zhang X., Li C., Liu K., Ma Y., Cheng H., Pei T., Wen T., Lin Z., Li F., Wang Y., J. Am. Chem. Soc., 2024, 146(33), 23508-23516

[26] Jiang D., Li C., Wen T., Liu K., Ma Y., Chen E., Pei T., Wang Y., Mater. Chem. Front., 2024, 8(4), 1636

[27] Liang J., Ju C., Liu Z., Li H., Karina A., Eklund T., Zheng W., Winkel K., Cai W., Wagner M., Qiu Z., Weil T., Müllen K., Angew. Chem. Int. Ed., 2025, 64(21), e202500923

[28] Ma Y., Wen T., Liu K., Jiang D., Zhao M., Lin C., Wang Y., J. Mater. Chem. C, 2023, 11(20), 6588

[29] Zhao Y., Chen K., Li N., Ma S., Wang Y., Kong Q., Baudelet F., Wang X., Yang W., Phys. Rev. Lett., 2020, 125(24), 245701

[30] Ma Y., Wen T., Liu K., Li C., Jiang D., Pei T., Lin C., Wang Y., J. Mater. Chem. C, 2024, 12(7), 2379

[31] Long Z., Li C., Jiang D., Niu G., Sui L., Yuan K., Wang Y., Nat. Commun., 2025, 16(1), 7058

[32] Polian A., J. Raman Spectrosc., 2003, 34(8), 633-637

[33] Tu H., Pan L., Qi H., Zhang S., Li F., Sun C., Wang X., Cui T., J. Phys. Condens. Matter, 2023, 35(25), 253002

[34] Huang D., Wang H., Zhao W., Dai R., Wang Z., Zhang Z., J. Phys. Chem. C, 2021, 125(40), 22354-22359

[35] Wu Y., Yin X., Hasaien J., Ding X., Zhao J., Chin. Phys. Lett., 2020, 37(4), 047801

[36] Erhard L., Utt D., Klomp A., Albe K., Model. Simul. Mater. Sci. Eng., 2024, 32(6), 065029

[37] Deng P., Hou R., Zhao Y. L., Zhu S. C. , Chin. J. High Press. Phys., 2026, 40(1), 010103

[38] (邓溥, 侯瑞, 赵英亮, 朱升财 . 高压物理学报, 2026, 40(1), 010103)

[39] Goodenough J., Annu. Rev. Mater. Sci., 1998, 28(1), 1-27

[40] Ishidate T., Isonuma T., Ferroelectrics, 1992, 137(1), 45-52

[41] Yamanaka T., Ahart M., Mao H., Yan H., J. Phys. Condens. Matter, 2018, 30, 265401

[42] Yagi T., Utsumi W., Phys. Rev. B, 1992, 46(10), 6031-6039

[43] Mishima O., Calvert L., Whalley E., Nature, 1984, 310(5976), 393-395

[44] Machon D., Meersman F., Wilding M., Wilson M., McMillan P., Prog. Mater. Sci., 2014, 61(4), 216-282

[45] Moore K., Belhadi L., Decremps F., Farber D., Bradley J., Cccelli F., Gauthier M., Polian A., Aracne-Ruddle C., Acta Mater., 2011, 59(16), 6007-6016

[46] Pei T., Tang Z., Jiang D., Li C., Ma Y., Chen E., Yue B., Wang Y., J. Phys. Chem. C, 2024, 128(37), 15718-15724

[47] Mączka M., Silva J., Gomes W., Vasconcelos D., Dybała F., Herman A., Kudrawiec R., Freire P., J. Phys. Chem. C, 2024, 128(21), 8698-8707

[48] Wang H., Zhao T. T., Li M., Li J. L., Peng S., Liu X. Q., Zhao B. H., Chen Y. L., Lin C. L. , Chin. J. High Press. Phys., 2024, 38(3), 030101

[49] (王毫, 赵婷婷, 李梅, 李俊龙, 彭赏, 刘旭强, 赵博浩, 陈彦龙, 林传龙 . 高压物理学报, 2024, 38(3), 030101)

[50] Chen X. H., Zhang Y., Liu L., Ye S. J., Li S. R., Jing Q. M., Gao J. J., Wang H., Lin C. L., Li J., J. Raman Spectrosc., 2024, 55(9), 989-997

基金资助

国家重点研发计划项目(2023YFA1608804)