Optical phonons, OH vibrations, and structural modifications of phlogopite at high temperatures: An in-situ infrared spectroscopic study

doi:10.2138/am-2016-5630

	Optical phonons, OH vibrations, and structural modifications of phlogopite at high temperatures: An in-situ infrared spectroscopic study
	Zhang, Ming 1,2; Tarantino, Serena C.3; Su, Wen 4; Lou, Xiaojie 2; Ren, Xiaobing 2; Salje, Ekhard K. H.5; Carpenter, Michael A.5; Redfern, Simon A. T.5
	2016-07-01
发表期刊	AMERICAN MINERALOGIST
卷号	101 期号:7-8 页码:1873-1883
文章类型	Article
摘要	The thermal behavior of optical phonons and OH vibrations of phlogopite (a trioctahedral mica) was examined at temperatures up to 1000 K using in situ infrared spectroscopy. The results showed that with increasing temperature, 0 K bands in phlogopite exhibited a relatively strong variation in frequency in a manner similar to those in muscovite. The work revealed that different types of OH bands (fundamentals and combinations) have very different thermal behavior or temperature dependence, and their absorption coefficients are commonly not constant on heating. OH combination bands that are associated with summation processes of multi-phonon interactions commonly show a decrease in their intensities on heating, but in contrast combination bands due to difference processes generally exhibit an increase. This means that temperature dependencies of their absorption coefficients need to be considered when using the Beer-Lambert law to determine or estimate OH contents or hydrogen concentrations at high temperatures. The results showed a structural anomaly associated with a discontinuity in the temperature derivative of the wavenumber of Al-O and Si-O vibrations and O-H stretching near 600 K. However, framework-related phonon modes in the FIR and MIR regions do not suggest a break of the original monoclinic structural symmetry in the investigated temperature region. The complex changes are attributed to temperature-induced alteration of local configuration involving TO4 tetrahedra and a possible change of the orientation of OH dipoles, in addition to a previously reported distortion of MO6 octahedra. Increasing temperature to 1000 K also causes partial dehydroxylation, as evidenced by the disappearance of the OH band near 3623 cm(-1) and the decrease in OH band height and area of other OH bands. The study did not record the formation of H2O inside phlogopite as a result of partial dehydroxylation. The work offers new data and findings that have important implications in understanding the complex structural modifications and the behavior of phonon modes and the thermal stability of hydroxyls on approaching the dehydroxylation, as well as the way hydrogen is released from micas at high temperatures. Our data also show that phologpite becomes less transparent with increasing temperature suggesting a change of radiative properties and ability to transmit heat, which could be of interest for modeling thermal-transmission in crustal rocks.
关键词	Phlogopite infrared spectra high temperature phonon modes OH dehydroxylation phase transition
WOS标题词	Science & Technology ; Physical Sciences
DOI	10.2138/am-2016-5630
资助者	National Science Foundation of China(41372055 ; National Science Foundation of China(41372055 ; Ministry of Science and Technology of China(2012CB619401) ; Ministry of Science and Technology of China(2012CB619401) ; China Academy of Engineering Physics(YK2015-0602002 ; China Academy of Engineering Physics(YK2015-0602002 ; 51372195) ; 51372195) ; TP201601-01) ; TP201601-01) ; National Science Foundation of China(41372055 ; National Science Foundation of China(41372055 ; Ministry of Science and Technology of China(2012CB619401) ; Ministry of Science and Technology of China(2012CB619401) ; China Academy of Engineering Physics(YK2015-0602002 ; China Academy of Engineering Physics(YK2015-0602002 ; 51372195) ; 51372195) ; TP201601-01) ; TP201601-01)
关键词[WOS]	FE-RICH PHLOGOPITE ; HYDROUS COMPONENTS ; THERMAL-EXPANSION ; CO2 INCORPORATION ; ALKALI FELDSPARS ; IR SPECTROSCOPY ; LAYER SILICATES ; CLAY-MINERALS ; DEHYDROXYLATION ; SPECTRA
收录类别	SCI
语种	英语
资助者	National Science Foundation of China(41372055 ; National Science Foundation of China(41372055 ; Ministry of Science and Technology of China(2012CB619401) ; Ministry of Science and Technology of China(2012CB619401) ; China Academy of Engineering Physics(YK2015-0602002 ; China Academy of Engineering Physics(YK2015-0602002 ; 51372195) ; 51372195) ; TP201601-01) ; TP201601-01) ; National Science Foundation of China(41372055 ; National Science Foundation of China(41372055 ; Ministry of Science and Technology of China(2012CB619401) ; Ministry of Science and Technology of China(2012CB619401) ; China Academy of Engineering Physics(YK2015-0602002 ; China Academy of Engineering Physics(YK2015-0602002 ; 51372195) ; 51372195) ; TP201601-01) ; TP201601-01)
WOS研究方向	Geochemistry & Geophysics ; Mineralogy
WOS类目	Geochemistry & Geophysics ; Mineralogy
WOS记录号	WOS:000381450500038
引用统计
文献类型	期刊论文
条目标识符	http://ir.iggcas.ac.cn/handle/132A11/53334
专题	岩石圈演化国家重点实验室
作者单位	1.China Acad Engn Phys, Inst Mat, Mianyang, Sichuan, Peoples R China 2.Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, Multidisciplinary Mat Res Ctr, Xian 710054, Peoples R China 3.Univ Pavia, Dipartimento Sci Terra, Via Ferrata 1, I-27100 Pavia, Italy 4.Chinese Acad Sci, Inst Geol & Geophys, State Key Lab Lithospher Evolut, Beijing 100029, Peoples R China 5.Univ Cambridge, Dept Earth Sci, Downing St, Cambridge CB2 3EQ, England
推荐引用方式 GB/T 7714	Zhang, Ming,Tarantino, Serena C.,Su, Wen,et al. Optical phonons, OH vibrations, and structural modifications of phlogopite at high temperatures: An in-situ infrared spectroscopic study[J]. AMERICAN MINERALOGIST,2016,101(7-8):1873-1883.
APA	Zhang, Ming.,Tarantino, Serena C..,Su, Wen.,Lou, Xiaojie.,Ren, Xiaobing.,...&Redfern, Simon A. T..(2016).Optical phonons, OH vibrations, and structural modifications of phlogopite at high temperatures: An in-situ infrared spectroscopic study.AMERICAN MINERALOGIST,101(7-8),1873-1883.
MLA	Zhang, Ming,et al."Optical phonons, OH vibrations, and structural modifications of phlogopite at high temperatures: An in-situ infrared spectroscopic study".AMERICAN MINERALOGIST 101.7-8(2016):1873-1883.