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Equations of state of Co2TiO4-Sp, Co2TiO4-CM, and Co2TiO4-CT, and their phase transitions: an experimental and theoretical study

文献类型：期刊论文

作者Zhang, Yanyao1,2; Liu, Xi1,2; Shieh, Sean R.3; Zhang, Zhigang4; Bao, Xinjian1,2; Xie, Tianqi3; Wang, Fei1,2; Prescher, Clemens5; Prakapenka, Vitali B.5
刊名PHYSICS AND CHEMISTRY OF MINERALS
出版日期2019-06-01
卷号46期号:6页码:571-582
ISSN号0342-1791
关键词Co2TiO4-CM Co2TiO4-CT Co2TiO4-Sp DFT calculation Diamond-anvil cell Equation of state High-P phase transition Synchrotron X-ray diffraction
DOI10.1007/s00269-019-01023-3
英文摘要Co2TiO4 spinel (Co2TiO4-Sp) was synthesized at 1573K and room P by heating in an argon atmosphere for 72h, and quasi-hydrostatically compressed to similar to 24 GPa using a diamond-anvil cell in conjunction with a synchrotron X-ray radiation (ambient T). We found that the Co2TiO4-Sp was stable up to similar to 21 GPa and transformed to a new phase at higher P. With some theoretical simulations, we revealed that this new phase adopted the CaMn2O4-type structure (Co2TiO4-CM), which might further transform to the CaTi2O4-type structure (Co2TiO4-CT) at similar to 35 GPa. The isothermal bulk modulus (K-T) was experimentally obtained as 175.5(36) GPa for the Co2TiO4-Sp and 161(7) GPa for the Co2TiO4-CM, with its first pressure derivative KT as 2.8(5) and 7.3(8), respectively. Furthermore, the K-T was theoretically constrained (the GGA method) as 138(3) GPa for the Co2TiO4-CM and 196.8(14) GPa for the Co2TiO4-CT, with the KT as 7.6(3) and 5.0(1), respectively. Consequently, the Co2TiO4-CM is similar to 12.3% denser than the Co2TiO4-Sp at similar to 21 GPa, whereas the Co2TiO4-CT is just similar to 0.8% denser than the Co2TiO4-CM at similar to 35 GPa. The spinel and post-spinel phase assemblages for the Co2TiO4 composition at some high T have been tentatively deduced as Co2TiO4-Sp, CoO-B1 (NaCl-type structure)+CoTiO3-Ilm (ilmenite-type structure), 2CoO-B1+TiO2--PbO2 (-PbO2-type structure), Co2TiO4-CM and Co2TiO4-CT, as P increases.
WOS关键词X-RAY-DIFFRACTION ; HIGH-PRESSURE TRANSFORMATIONS ; POST-PEROVSKITE PHASE ; OF-STATE ; POWDER DIFFRACTION ; SPINEL PHASE ; ELASTICITY ; MG2TIO4 ; GPA ; DISPROPORTIONATION
资助项目National Science Foundation-Earth Sciences[EAR-1128799] ; Department of Energy-Geo-Sciences[DE-FG02-94ER14466] ; COMPRES under NSF[EAR 11-57758] ; GSECARS through NSF[EAR-1128799] ; GSECARS through DOE[DE-FG02-94ER14466] ; DOE Office of Science[DE-AC02-06CH11357] ; Strategic Priority Research Program (B) of Chinese Academy of Sciences[XDB18000000] ; DREAM project of MOST, China[2016YFC0600408] ; Natural Sciences and Engineering Research Council of Canada
WOS研究方向Materials Science ; Mineralogy
语种英语
出版者SPRINGER
WOS记录号WOS:000468209800003
资助机构National Science Foundation-Earth Sciences ; National Science Foundation-Earth Sciences ; Department of Energy-Geo-Sciences ; Department of Energy-Geo-Sciences ; COMPRES under NSF ; COMPRES under NSF ; GSECARS through NSF ; GSECARS through NSF ; GSECARS through DOE ; GSECARS through DOE ; DOE Office of Science ; DOE Office of Science ; Strategic Priority Research Program (B) of Chinese Academy of Sciences ; Strategic Priority Research Program (B) of Chinese Academy of Sciences ; DREAM project of MOST, China ; DREAM project of MOST, China ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; National Science Foundation-Earth Sciences ; National Science Foundation-Earth Sciences ; Department of Energy-Geo-Sciences ; Department of Energy-Geo-Sciences ; COMPRES under NSF ; COMPRES under NSF ; GSECARS through NSF ; GSECARS through NSF ; GSECARS through DOE ; GSECARS through DOE ; DOE Office of Science ; DOE Office of Science ; Strategic Priority Research Program (B) of Chinese Academy of Sciences ; Strategic Priority Research Program (B) of Chinese Academy of Sciences ; DREAM project of MOST, China ; DREAM project of MOST, China ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; National Science Foundation-Earth Sciences ; National Science Foundation-Earth Sciences ; Department of Energy-Geo-Sciences ; Department of Energy-Geo-Sciences ; COMPRES under NSF ; COMPRES under NSF ; GSECARS through NSF ; GSECARS through NSF ; GSECARS through DOE ; GSECARS through DOE ; DOE Office of Science ; DOE Office of Science ; Strategic Priority Research Program (B) of Chinese Academy of Sciences ; Strategic Priority Research Program (B) of Chinese Academy of Sciences ; DREAM project of MOST, China ; DREAM project of MOST, China ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; National Science Foundation-Earth Sciences ; National Science Foundation-Earth Sciences ; Department of Energy-Geo-Sciences ; Department of Energy-Geo-Sciences ; COMPRES under NSF ; COMPRES under NSF ; GSECARS through NSF ; GSECARS through NSF ; GSECARS through DOE ; GSECARS through DOE ; DOE Office of Science ; DOE Office of Science ; Strategic Priority Research Program (B) of Chinese Academy of Sciences ; Strategic Priority Research Program (B) of Chinese Academy of Sciences ; DREAM project of MOST, China ; DREAM project of MOST, China ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada
源URL[http://ir.iggcas.ac.cn/handle/132A11/92104]  
专题地质与地球物理研究所_中国科学院地球与行星物理重点实验室
通讯作者Liu, Xi
作者单位1.Peking Univ, Key Lab Orogen Belts & Crustal Evolut, MOE, Beijing 100871, Peoples R China
2.Peking Univ, Sch Earth & Space Sci, Beijing 100871, Peoples R China
3.Univ Western Ontario, Dept Earth Sci, London, ON N6A 5B7, Canada
4.Chinese Acad Sci, Key Lab Earth & Planetary Phys, Inst Geol & Geophys, Beijing 100029, Peoples R China
5.Univ Chicago, Ctr Adv Radiat Sources, Chicago, IL 60439 USA
推荐引用方式
GB/T 7714		 Zhang, Yanyao,Liu, Xi,Shieh, Sean R.,et al. Equations of state of Co2TiO4-Sp, Co2TiO4-CM, and Co2TiO4-CT, and their phase transitions: an experimental and theoretical study[J]. PHYSICS AND CHEMISTRY OF MINERALS,2019,46(6):571-582.
APA Zhang, Yanyao.,Liu, Xi.,Shieh, Sean R..,Zhang, Zhigang.,Bao, Xinjian.,...&Prakapenka, Vitali B..(2019).Equations of state of Co2TiO4-Sp, Co2TiO4-CM, and Co2TiO4-CT, and their phase transitions: an experimental and theoretical study.PHYSICS AND CHEMISTRY OF MINERALS,46(6),571-582.
MLA Zhang, Yanyao,et al."Equations of state of Co2TiO4-Sp, Co2TiO4-CM, and Co2TiO4-CT, and their phase transitions: an experimental and theoretical study".PHYSICS AND CHEMISTRY OF MINERALS 46.6(2019):571-582.

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来源：地质与地球物理研究所

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