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

doi:10.1016/j.ssc.2018.04.006

CORC > 合肥物质科学研究院 > 中国科学院合肥物质科学研究院 > 中科院安徽光学精密机械研究所

	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, Qingli 1; Dou, Renqin 1; Liu, Wenpeng 1; Sun, Guihua 1; Sun, Dunlu 1
刊名	SOLID STATE COMMUNICATIONS
	2018-09-01
卷号	277 期号:无页码:7-12
关键词	LaNbO4 solid-state reaction Luminescence properties Density function theory
ISSN号	0038-1098
DOI	10.1016/j.ssc.2018.04.006
英文摘要	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.
资助项目	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关键词	FERROELASTIC PHASE-TRANSITION ; SOL-GEL PROCESS ; LUMINESCENT PROPERTIES ; PHOSPHORS ; CRYSTAL ; DEFECTS
WOS研究方向	Physics
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000432733700002
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/36702]
专题	合肥物质科学研究院_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
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.