Study on the crystal structure of (Gd2-xCex)Ti2O7 (0 <= x <= 0.8) pyrochlore

doi:10.1080/17436753.2016.1172167

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	Study on the crystal structure of (Gd2-xCex)Ti2O7 (0 <= x <= 0.8) pyrochlore
	Zhang, K. Q.1,2; Liu, C. G.2; Li, F. Z.1; Yang, D. Y.2; Chen, C.1; Wu, R. D.3; Peng, S. M.1; Li, Y. H.2; Zhang, H. B.1
刊名	ADVANCES IN APPLIED CERAMICS
	2016
卷号	115 期号:7 页码:411-416
关键词	Solution combustion Pyrochlore Crystal structure First-principle calculations Solubility Lattice parameters Rietveld refinement X-ray diffraction analysis
ISSN号	1743-6753
DOI	10.1080/17436753.2016.1172167
通讯作者	Li, Y. H.(liyuhong@lzu.edu.cn) ; Zhang, H. B.(hbzhang@caep.cn)
英文摘要	Synthesis, characterisation and crystal structure analysis studies of oxides in (Gd2-xCex)Ti2O7 series have been reported, Ce3+ used as a surrogate for Pu3+ because they have similar physical and chemical properties. In the present report, a series of pyrochlore-type crystal with composition (Gd2-xCex)Ti2O7 (0 <= x <= 0.8) were successfully synthesised by the solution combustion followed by high temperature calcining. The phase purity and crystal structure of samples were investigated by X-ray diffraction analysis as well as Rietveld refinement. It was observed that the solubility of Ce3+ in the lattice of Gd2Ti2O7 pyrochlore is 39.62 mol.-%. The calculated lattice parameters and the simulated XRD patterns of (Gd2-xCex)Ti2O7 (x = 0, 0.5, 1) were obtained based on the density functional theory. The results of theoretical calculation are quite consistent with the results of the experiment. Additionally, the grain size and the visual information about the microscopic structure of the (Gd2-xCex)Ti2O7 crystals were obtained by transmission electron microscopy.
资助项目	National Natural Science Foundation of China[11175076] ; National Natural Science Foundation of China[11475076]
WOS研究方向	Materials Science
语种	英语
出版者	TAYLOR & FRANCIS LTD
WOS记录号	WOS:000382256300006
资助机构	National Natural Science Foundation of China
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/122565]
专题	金属研究所_中国科学院金属研究所
通讯作者	Li, Y. H.; Zhang, H. B.
作者单位	1.China Acad Engn Phys, Inst Nucl Phys & Chem, Mianyang 621900, Peoples R China 2.Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 7340000, Peoples R China 3.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Zhang, K. Q.,Liu, C. G.,Li, F. Z.,et al. Study on the crystal structure of (Gd2-xCex)Ti2O7 (0 <= x <= 0.8) pyrochlore[J]. ADVANCES IN APPLIED CERAMICS,2016,115(7):411-416.
APA	Zhang, K. Q..,Liu, C. G..,Li, F. Z..,Yang, D. Y..,Chen, C..,...&Zhang, H. B..(2016).Study on the crystal structure of (Gd2-xCex)Ti2O7 (0 <= x <= 0.8) pyrochlore.ADVANCES IN APPLIED CERAMICS,115(7),411-416.
MLA	Zhang, K. Q.,et al."Study on the crystal structure of (Gd2-xCex)Ti2O7 (0 <= x <= 0.8) pyrochlore".ADVANCES IN APPLIED CERAMICS 115.7(2016):411-416.