The host driven local structures modulation towards broadband photoluminescence in neodymium-doped fluorite crystal

Ma, Fengkai; Zhang, Peixiong; Su, Liangbi; Yin, Hao; Li, Zhen; Lv, Qitao; Chen, Zhenqiang

doi:10.1016/j.optmat.2021.111322

Cited by 7 publications

(4 citation statements)

References 20 publications

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“…The comparable proportions of cubic sublattice and square antiprism clusters at 1.9% lead to the more intense absorption of square antiprism clusters in the crystal. The square antiprism clusters are fitting to emerge in the sample doped with 0.63% Nd 3+ , and it increases continuously with the increase of neodymium concentration; the trend agrees well with the varied absorptions of 859.8 nm which is assigned to the square antiprism clusters, 60 as shown in Figure 6c. It shows that there exists a gap between the fitting results and the absorption intensities around the doping level of 1%, which is caused by the relative errors of about 12% in the fitting results.…”

Section: Resultssupporting

confidence: 78%

“…The triangle denoted absorption starts to emerge when doped with 0.23% Nd 3+ which is close to the starting aggregating concentration. The triangle denoted absorption is then assigned to the cubic sublattice clusters, while the square antiprism structure clusters contribute to the asterisk denoted absorptions. − The absorptions are in line with the varied cluster formation energies and structures.…”

Section: Resultsmentioning

confidence: 98%

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Neodymium Cluster Evolution in Fluorite Laser Crystal: A Combined DFT and Synchrotron X-ray Absorption Fine Structure Study

Zhang

Jiang

et al. 2022

Crystal Growth & Design

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The neodymium cluster evolution in fluorite crystals has been unknown for nearly 60 years, which hindered further exploration of rare-earth-doped fluorite materials. In this work, the first-principles calculation is coupled with the synchrotron X-ray absorption near-edge structure and extended X-ray absorption fine structure (EXAFS), as well as the dielectric spectra to study the neodymium-doped and yttrium-codoped strontium fluorite crystals. The results reveal that the monomers will emerge first and work as basic units. Then, the units aggregate to become the cubic sublattice centers and the cubic sublattice centers further transform to become square antiprism structure clusters as the neodymium concentration rises. The evolution from the monomers to high order clusters will be accelerated by the codopant of yttrium ions. There are about 100% of square antiprism centers that could be obtained when tailored with yttrium ions. The EXAFS spectra further show that the square antiprism centers consist of about 74.2% of SAP-9CN and 25.8% of SAP-8CN polyhedrons, which is in good agreement with the calculated pentamer and hexamer cluster structures. The spectroscopic parameters of neodymium-doped fluorites could be tuned in large scale by the evolution, which presents us a methodology for designing new rare-earth-doped fluorite materials.

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Section: Resultssupporting

confidence: 78%

Section: Resultsmentioning

confidence: 98%

Neodymium Cluster Evolution in Fluorite Laser Crystal: A Combined DFT and Synchrotron X-ray Absorption Fine Structure Study

Zhang

Jiang

et al. 2022

Crystal Growth & Design

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“…where ϕ denotes the error function [33]; then, Equation ( 11) is substituted into Equation (4), and finally combine Equations ( 8) and (9), the functional relationship between the population of the excited state and the relative doping concentration can be obtained:…”

Section: Theoretical Analysismentioning

confidence: 99%

“…The most common emission wavelength is around 1 µm, but there are several possible laser transitions in the near-infrared region of the spectrum, in addition to near-ultraviolet laser lines [6]. Crystals doped with rare earth ions and exhibiting a combination of active (laser) and nonlinear properties ("active-nonlinear" crystals) have been investigated intensively during the last decade [7][8][9][10]. Earlier studies show Nd 3+ concentrations greater than 1 at.% result in self-quenching in the fluorescence lifetime, a reduction in fluorescence intensity, and steep increment in threshold [11][12][13][14][15][16].…”

Section: Introductionmentioning

confidence: 99%

Optimal Doping Concentrations of Nd3+ Ions in CYGA Laser Crystals

Lu,

Tan,

et al. 2024

Crystals

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The kinetic process of the excited state population of Nd3+ ion in Nd: CaY0.9Gd0.1AlO4 (Nd: CYGA) crystal were studied in detail to estimate the optimal doping concentration, which maximize ~1 μm fluorescence emission from the 4F3/2 state to the 4I9/2 state of Nd3+. The analysis was accomplished by revealing the dependence of the excited state population on the doping concentration in a relatively convenient way in theory. After comparing the theoretical prediction results with the experimental findings and approximating the results obtained using the aforementioned method, the optimal relative doping concentration of Nd: CYGA was determined to be 2.1 at.%, which closely matched the 2.0 at.% obtained through experimental comparison. This verifies the effectiveness and accuracy of the proposed method. In particular, it is worth mentioning that in this method only one doping concentration of the crystal is required to obtain the optimal concentration, which may be used to guide the concentration optimization process for improving efficiency and saving resources.

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Factors influencing the structure of the complex-defects in AF2: RE3+ (A= Ca, Sr and Ba): A first-principles study

Cai

Ma²,

Yin³

2022

Journal of Luminescence

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The host driven local structures modulation towards broadband photoluminescence in neodymium-doped fluorite crystal

Cited by 7 publications

References 20 publications

Neodymium Cluster Evolution in Fluorite Laser Crystal: A Combined DFT and Synchrotron X-ray Absorption Fine Structure Study

Neodymium Cluster Evolution in Fluorite Laser Crystal: A Combined DFT and Synchrotron X-ray Absorption Fine Structure Study

Optimal Doping Concentrations of Nd3+ Ions in CYGA Laser Crystals

Factors influencing the structure of the complex-defects in AF2: RE3+ (A= Ca, Sr and Ba): A first-principles study

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