The Local and Electronic Structure Study of LuxGd1-xVO4 (0 <= x <= 1) Solid Solution Nanocrystals

doi:10.3390/nano13020323

	The Local and Electronic Structure Study of LuxGd1-xVO4 (0 <= x <= 1) Solid Solution Nanocrystals
	Chen, Yang 1; Li, Ziqing 2; Ji, Nianjing 3; Wei, Chenxi4 ; Duan, Xiulan 1; Jiang, Huaidong1,4
	2023
发表期刊	NANOMATERIALS (IF:4.4[JCR-2023],4.7[5-Year])
EISSN	2079-4991
卷号	13 期号:2
发表状态	已发表
DOI	10.3390/nano13020323
摘要	Rare-earth-doped mixed crystals have demonstrated tunable optical properties, and it is of great importance to study the structural characteristics of the mixed-crystal hosts. Herein, LuxGd1-xVO4 (0 <= x <= 1) solid solution nanocrystals were synthesized by a modified sol-gel method, with a pure crystalline phase and element composition. The X-ray diffraction (XRD) and Rietveld refinement results showed that LuxGd1-xVO4 nanocrystals are continuous solid solutions with a tetragonal zircon phase (space group I4(1)/amd) and the lattice parameters strictly follow Vegard's law. The detailed local structures were studied by extended X-ray absorption fine structure (EXAFS) spectra, which revealed that the average bond length of Gd-O fluctuates and decreases, while the average bond length of Lu-O gradually decreases with the increase in Lu content. Furthermore, the binding energy differences of core levels indicate that the covalent V-O bond is relatively stable, while the ionicity of the Lu-O bond decreases with the increasing x value, and the ionicity of the Gd-O bond fluctuates with small amplitude. The valence band structures were further confirmed by the first-principles calculations, indicating that the valence band is contributed to by the O 2p nonbonding state, localized Gd 4f and Lu 4f states, and the hybridized states between the bonding O 2p and V 3d. The binding energies of the Lu core and the valence levels tend to decrease gradually with the increase in Lu content. This work provides insight into the structural features of mixed-crystal hosts, which have been developed in recent years to improve laser performance by providing different positions for active ions to obtain inhomogeneous broadening spectra.
关键词	solid solution local structure electronic structure
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收录类别	SCI ; SCOPUS
语种	英语
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS类目	Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
WOS记录号	WOS:000915995200001
出版者	MDPI
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/278848
专题	大科学中心_PI研究组_江怀东组大科学中心_公共科研平台_大科学装置建设部
通讯作者	Wei, Chenxi; Duan, Xiulan; Jiang, Huaidong
作者单位	1.Shandong Univ, Inst Crystal Mat, State Key Lab Crystal Mat, Jinan 250100, Peoples R China 2.Fudan Univ, Inst Optoelect, Shanghai 200433, Peoples R China 3.Shandong Jianzhu Univ, Sch Mat Sci & Engn, Jinan 250101, Peoples R China 4.ShanghaiTech Univ, Ctr Transformat Sci, Shanghai 201210, Peoples R China
通讯作者单位	上海科技大学
推荐引用方式 GB/T 7714	Chen, Yang,Li, Ziqing,Ji, Nianjing,et al. The Local and Electronic Structure Study of LuxGd1-xVO4 (0 <= x <= 1) Solid Solution Nanocrystals[J]. NANOMATERIALS,2023,13(2).
APA	Chen, Yang,Li, Ziqing,Ji, Nianjing,Wei, Chenxi,Duan, Xiulan,&Jiang, Huaidong.(2023).The Local and Electronic Structure Study of LuxGd1-xVO4 (0 <= x <= 1) Solid Solution Nanocrystals.NANOMATERIALS,13(2).
MLA	Chen, Yang,et al."The Local and Electronic Structure Study of LuxGd1-xVO4 (0 <= x <= 1) Solid Solution Nanocrystals".NANOMATERIALS 13.2(2023).