Structure, electronic and optical properties of LaNbO4: An experimental and first-principles study

doi:10.1016/j.ssc.2018.04.006

	Structure, electronic and optical properties of LaNbO4: An experimental and first-principles study
	Ding, Shoujun 1,2,3; Zhang, Haotian 1,2; Chen, Yuanzhi 1,2; Zhang, Qingli1 ; Dou, Renqin1 ; Liu, Wenpeng1 ; Sun, Guihua1 ; Sun, Dunlu1
	2018-09-01
发表期刊	SOLID STATE COMMUNICATIONS
ISSN	0038-1098
摘要	In this work, LaNbO4 polycrystalline with monoclinic structure was prepared by traditional high-temperature solid-state reaction method. Its structure was determined by X-ray diffraction and its unit cell parameters were obtained with Rietveld refinement method. Its luminescence properties including excitation, emission spectrum as well luminescence lifetime were characterized in experiment. Besides, a systematic theoretical calculation based on the density function theory methods was performed on LaNbO4. The calculated band gap is in good agreement with that obtained in experiment. A comparison of the calculated and experimental refractive index and reflectivity between LaNbO4, YNbO4 and GdNbO4 was made. All the obtained results provide an essential understanding of LaNbO4.
关键词	LaNbO4 solid-state reaction Luminescence properties Density function theory
DOI	10.1016/j.ssc.2018.04.006
关键词[WOS]	FERROELASTIC PHASE-TRANSITION ; SOL-GEL PROCESS ; LUMINESCENT PROPERTIES ; PHOSPHORS ; CRYSTAL ; DEFECTS
收录类别	SCI
语种	英语
资助项目	China Scholarship Council[201706340135] ; National Key Research and Development Program of China[2016YFB0402101] ; National Natural Science Foundation of China[51502292] ; National Natural Science Foundation of China[61405206] ; National Natural Science Foundation of China[61405206] ; National Natural Science Foundation of China[51502292] ; National Key Research and Development Program of China[2016YFB0402101] ; China Scholarship Council[201706340135]
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
WOS记录号	WOS:000432733700002
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：9[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.hfcas.ac.cn:8080/handle/334002/36702
专题	中科院安徽光学精密机械研究所
通讯作者	Ding, Shoujun; Zhang, Qingli
作者单位	1.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Hefei 230031, Anhui, Peoples R China 2.Univ Sci & Technol China, Hefei 230026, Anhui, Peoples R China 3.Utah State Univ, Chem & Biochem, Logan, UT 84322 USA
第一作者单位	中科院安徽光学精密机械研究所
通讯作者单位	中科院安徽光学精密机械研究所
推荐引用方式 GB/T 7714	Ding, Shoujun,Zhang, Haotian,Chen, Yuanzhi,et al. Structure, electronic and optical properties of LaNbO4: An experimental and first-principles study[J]. SOLID STATE COMMUNICATIONS,2018,277(无):7-12.
APA	Ding, Shoujun.,Zhang, Haotian.,Chen, Yuanzhi.,Zhang, Qingli.,Dou, Renqin.,...&Sun, Dunlu.(2018).Structure, electronic and optical properties of LaNbO4: An experimental and first-principles study.SOLID STATE COMMUNICATIONS,277(无),7-12.
MLA	Ding, Shoujun,et al."Structure, electronic and optical properties of LaNbO4: An experimental and first-principles study".SOLID STATE COMMUNICATIONS 277.无(2018):7-12.

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