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
DOI10.3390/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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