In Situ Raman Spectroscopy and DFT Studies of the Phase Transition from Zircon to Reidite at High P-T Conditions | |
Gao, Yue2,4; Zheng, Zhi2; Zhao, Xia5; Liu, Yuegao2; Chen, Jiangzhi2; Li, Yan1; Xiong, Mengjun2,4; Zu, Xiaotao3; Mei, Shenghua2 | |
刊名 | MINERALS |
2022-12-01 | |
卷号 | 12期号:12页码:11 |
关键词 | zircon reidite phase transition high P-T experiment diamond anvil cell in situ Raman spectroscopy density functional theory |
DOI | 10.3390/min12121618 |
通讯作者 | Mei, Shenghua |
英文摘要 | Zircon (ZrSiO4) provides a good pressure-holding environment for ultra-high-pressure metamorphic minerals during crust exhumation due to its high incompressibility and chemical stability. At high pressure, the zircon can transform to reidite. Previous studies show much higher phase-transition pressures at room temperature than those at high temperature (>1000 K) due to kinetic hindrance. To further investigate the kinetics of the zircon-reidite phase transition at relatively low temperatures, the phase boundary at 298-800 K was determined using a diamond anvil cell combined with in situ Raman spectra. The results show that reidite becomes thermodynamically more stable compared with zircon at 8 GPa at room temperature, and the slope of the phase boundary at 298-800 K abruptly differs from that of previous studies at 1100-1900 K. Compared with the equilibrium phase boundary calculated by the density functional theory, it indicates that the kinetic effect of the zircon-reidite phase transition is obvious, and there exists a sufficiently large energy driving force provided by an overpressure to overcome the activation energy barrier below a critical temperature of approximately 880 K. The temperature dependence of overpressure is about 0.023 GPa/K. |
WOS关键词 | SCHEELITE TRANSITION ; X-RAY ; PRESSURE ; ZRSIO4 ; MECHANISM ; POLYMORPH ; BEHAVIOR ; STATE |
WOS研究方向 | Geochemistry & Geophysics ; Mineralogy ; Mining & Mineral Processing |
语种 | 英语 |
出版者 | MDPI |
WOS记录号 | WOS:000903290000001 |
内容类型 | 期刊论文 |
源URL | [http://ir.idsse.ac.cn/handle/183446/10044] |
专题 | 深海科学研究部_深海极端环境模拟研究实验室 |
通讯作者 | Mei, Shenghua |
作者单位 | 1.Tsinghua Univ, Shenzhen Int Grad Sch, Inst Ocean Engn, Shenzhen 518055, Peoples R China 2.Sea Extreme Condit, Inst Deep Sea Sci & Engn, CAS Key Lab Expt Study Deep Sea Extreme Condit, Sanya 572000, Peoples R China 3.Univ Elect Sci & Technol China, Sch Phys, Chengdu 610054, Peoples R China 4.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 5.Hainan Trop Ocean Univ, Coll Marine Sci & Technol, Sanya 572022, Peoples R China |
推荐引用方式 GB/T 7714 | Gao, Yue,Zheng, Zhi,Zhao, Xia,et al. In Situ Raman Spectroscopy and DFT Studies of the Phase Transition from Zircon to Reidite at High P-T Conditions[J]. MINERALS,2022,12(12):11. |
APA | Gao, Yue.,Zheng, Zhi.,Zhao, Xia.,Liu, Yuegao.,Chen, Jiangzhi.,...&Mei, Shenghua.(2022).In Situ Raman Spectroscopy and DFT Studies of the Phase Transition from Zircon to Reidite at High P-T Conditions.MINERALS,12(12),11. |
MLA | Gao, Yue,et al."In Situ Raman Spectroscopy and DFT Studies of the Phase Transition from Zircon to Reidite at High P-T Conditions".MINERALS 12.12(2022):11. |
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