Structural and optical investigations of Nd3+doped Y2O3-SiO2 nanopowder

Goswami, Bindiya; Rani, Neelam; Ahlawat, Rachna

doi:10.1016/j.jallcom.2017.09.269

Cited by 24 publications

(8 citation statements)

References 31 publications

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“…The ground state structures of the pure Y 2 O 3 and Nd 3+doped Y 2 O 3 are determined and presented in Figure 1. The impurity Nd 3+ concentration in Y 2 O 3 is calculated to be 3.125%, which is similar to the experimental value reported by Goswami et al 17 However, the experimental value of the band gap is determined to be 6.2 eV for Y 2 O 3 . 47 It is an actual fact that the traditional DFT calculations may underestimate the gaps because of its error in predicting the fundamental energy gaps.…”

Section: ■ Results and Discussionsupporting

confidence: 87%

“…The ground state structures of the pure Y 2 O 3 and Nd 3+ -doped Y 2 O 3 are determined and presented in Figure . The impurity Nd 3+ concentration in Y 2 O 3 is calculated to be 3.125%, which is similar to the experimental value reported by Goswami et al From Figure , we can clearly see that the lowest-energy structure of Nd 3+ -doped Y 2 O 3 possesses the monoclinic phase with a Nd 3+ ion substitute for Y 3+ in the crystal lattice. The space group of Nd:Y 2 O 3 configuration is standardized P 2 (no.…”

Section: Resultssupporting

confidence: 87%

“…With a concentration of Nd from 0.1 to 7.0%, Hou et al 16 studied the effect of Nd concentration on structural and optical properties of Nd:Y 2 O 3 and revealed that the emission intensities could increase or decrease dramatically with different Nd concentrations. The latest results reported by Goswami et al 17…”

Section: ■ Introductionmentioning

confidence: 93%

“…With a concentration of Nd from 0.1 to 7.0%, Hou et al studied the effect of Nd concentration on structural and optical properties of Nd:Y 2 O 3 and revealed that the emission intensities could increase or decrease dramatically with different Nd concentrations. The latest results reported by Goswami et al suggest that the appropriate concentration of Nd is around 3.5%, and the X-ray diffraction (XRD) analysis shows that the Nd 3+ ion can be integrated properly into the crystal lattice of Y 2 O 3 . By looking at the previous investigations concerning the Nd:Y 2 O 3 system in the literature studies, it is evidenced that the energy level splittings of the Nd 3+ ion in the Y 2 O 3 crystal and its unique microstructure remain topics of active studies.…”

Section: Introductionmentioning

confidence: 99%

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In-Depth Determination of the Microstructure and Energy Transition Mechanism for Nd³⁺-Doped Yttrium Oxide Laser Crystals

Xiao

Sun

et al. 2020

J. Phys. Chem. C

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Rare-earth Nd 3+ -doped yttrium oxide (Y 2 O 3 ) is an important near-infrared (NIR) laser material with good chemical and thermal stability. However, the microstructure and energy transition mechanism of Nd 3+ -doped Y 2 O 3 remains challenging. Herein, we report a systematic study on the microstructure and energy transition of Nd 3+doped Y 2 O 3 by unbiased CALYPSO structural search and our newly developed WEPMD method. A new monoclinic structure with P2 space group symmetry is identified. It is shown that the doped Nd 3+ ion exactly substitutes the Y 3+ ion in the host crystal, resulting in the decrease of the energy band gap of Y 2 O 3 . Based on the Judd−Ofelt theory, a large number of energy transitions are predicted at the NIR region. The results indicate that the energy transition of 2 H (2)11/2 → 4 I 15/2 is about 1033 nm, which makes it a good candidate for laser action. Three important absorption lines from 4 I 9/2 to 2 H (2)11/2 , 4 G 5/2 , and 2 G (1)7/2 , at approximately 600 nm and indistinguishable by experiment, are uncovered for the first time. The present findings enrich the fundamental understanding of the Nd:Y 2 O 3 crystal and will help advance the rational design of a new type of laser device.

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Section: ■ Results and Discussionsupporting

confidence: 87%

Section: Resultssupporting

confidence: 87%

Section: ■ Introductionmentioning

confidence: 93%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

In-Depth Determination of the Microstructure and Energy Transition Mechanism for Nd³⁺-Doped Yttrium Oxide Laser Crystals

Xiao

Sun

et al. 2020

J. Phys. Chem. C

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“…Nd-doped YAG (Nd:YAG) possesses the desirable optical, chemical, and mechanical properties for use as the standard material in engineering applications. Although many kinds of laser crystals have been studied in recent years, , the Nd:YAG crystal is better than other laser materials because it has higher efficiency and is easier to realize for many applications. It is worth noting that Nd:YAG is the best host crystal for the high output, Q-switch, and mode-locked ultrashort pulse laser systems. , …”

Section: Introductionmentioning

confidence: 99%

New Theoretical Insights into the Crystal-Field Splitting and Transition Mechanism for Nd³⁺-Doped Y₃Al₅O₁₂

Xiao

Zhong

et al. 2019

ACS Appl. Mater. Interfaces

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There has been considerable research interest paid to rare-earth transition-metal-doped Y3Al5O12, which has great potential for application as a laser crystal of new-type laser devices because of its unique optoelectronic and photophysical properties. Here, we present new research conducted on the structural evolution and crystal-field characteristics of a rare-earth Nd-doped Y3Al5O12 laser crystal by using the CALYPSO structure search method and our newly developed WEPMD method. A novel cage-like structure with a Nd3+ concentration of 4.16% is uncovered, which belongs to the standardized C 222 space group. Our results indicate that the impurity Nd3+ ions are likely to substitute the Y3+ at the central site of the host Y3Al5O12 crystal lattice. The laser emission 4F3/2 → 4I11/2 occurring at 1077 nm is in accord with that of the experimental data. By introducing the proper correlation crystal field, three transitions, 4G5/2 → 4I9/2, 4F7/2 → 4I9/2, and 4S3/2 → 4I9/2, are predicted to be good candidates for laser action. These findings can provide powerful guidelines for further experiments of rare-earth-metal-doped laser crystals.

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Effect of multiphase Nb2O5 on morphology and luminescence outcomes of Er3+-doped SiO2 nanopowder

Rani

Goswami

Ahlawat

2022

J Mater Sci: Mater Electron

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Structural and optical investigations of Nd3+doped Y2O3-SiO2 nanopowder

Cited by 24 publications

References 31 publications

In-Depth Determination of the Microstructure and Energy Transition Mechanism for Nd³⁺-Doped Yttrium Oxide Laser Crystals

In-Depth Determination of the Microstructure and Energy Transition Mechanism for Nd³⁺-Doped Yttrium Oxide Laser Crystals

New Theoretical Insights into the Crystal-Field Splitting and Transition Mechanism for Nd³⁺-Doped Y₃Al₅O₁₂

Effect of multiphase Nb2O5 on morphology and luminescence outcomes of Er3+-doped SiO2 nanopowder

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Structural and optical investigations of Nd3+doped Y2O3-SiO2 nanopowder

Cited by 24 publications

References 31 publications

In-Depth Determination of the Microstructure and Energy Transition Mechanism for Nd3+-Doped Yttrium Oxide Laser Crystals

In-Depth Determination of the Microstructure and Energy Transition Mechanism for Nd3+-Doped Yttrium Oxide Laser Crystals

New Theoretical Insights into the Crystal-Field Splitting and Transition Mechanism for Nd3+-Doped Y3Al5O12

Effect of multiphase Nb2O5 on morphology and luminescence outcomes of Er3+-doped SiO2 nanopowder

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Product

Resources

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In-Depth Determination of the Microstructure and Energy Transition Mechanism for Nd³⁺-Doped Yttrium Oxide Laser Crystals

In-Depth Determination of the Microstructure and Energy Transition Mechanism for Nd³⁺-Doped Yttrium Oxide Laser Crystals

New Theoretical Insights into the Crystal-Field Splitting and Transition Mechanism for Nd³⁺-Doped Y₃Al₅O₁₂