Recent Developments in the Field of Inorganic Phosphors

Höppe, Henning A.

doi:10.1002/anie.200804005

Cited by 1,016 publications

(531 citation statements)

References 122 publications

(156 reference statements)

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“…These criteria are best achieved by means of lanthanide ions in various host lattices showing the 4f n -4f nÀ1 5d 1 transitions. 1 A good yellow phosphor for producing white light with a blue LED is for instance Y 3 Al 5 O 12 (YAG) doped with Ce 3+ ions. 2 This LED has been broadly used as a long-life white-light source in traffic lights, cycle lamps, car headlights, outdoor lighting, flashlights or marking lamps in tunnels.…”

Section: Introductionmentioning

confidence: 99%

Ligand field density functional theory calculation of the 4f2 → 4f15d1 transitions in the quantum cutter Cs2KYF6:Pr3+

Ramanantoanina

Urland

Cimpoesu³

et al. 2013

Phys. Chem. Chem. Phys.

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Herein we present a Ligand Field Density Functional Theory (LFDFT) based methodology for the analysis of the 4f n -4f nÀ1 5d 1 transitions in rare earth compounds and apply it for the characterization of the show that the occupation of the three undistorted sites allows a quantum-cutting process. However size effects due to the difference between the ionic radii of Pr 3+ and K + as well as Cs + lead to the distortion of the K + -and the Cs + -site, which finally exclude these sites for quantum-cutting. A detailed discussion about the origin of this distortion is also described.

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Section: Introductionmentioning

confidence: 99%

Ligand field density functional theory calculation of the 4f2 → 4f15d1 transitions in the quantum cutter Cs2KYF6:Pr3+

Ramanantoanina

Urland

Cimpoesu³

et al. 2013

Phys. Chem. Chem. Phys.

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“…The possible energy savings associated with the replacement of incandescent light bulbs (and even fluorescent tubes) by light emitting diodes (LEDs) have triggered new efforts in phosphor research [1].…”

Section: Introductionmentioning

confidence: 99%

Structure and luminescence of (Ca,Sr)₂SiS₄ : Eu²⁺ phosphors

Parmentier¹,

Smet²,

Bertram³

et al. 2010

J. Phys. D: Appl. Phys.

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Sr 2 SiS 4 :Eu 2+ , Ca 2 SiS 4 :Eu 2+ and the solid solution of both, europium-doped (Ca,Sr) 2 SiS 4 , were investigated as UV-VIS excitable green to red powder phosphors. Sr 2 SiS 4 :Eu 2+ shows two emission bands, peaking at 480 nm and 550 nm. By changing the ratio between Ca 2+ and Sr 2+ , the photoluminescent emission spectrum can be tuned. Using X-ray diffraction, the phase composition and lattice parameters of the thiosilicate compounds were determined. The material forms a single, monoclinic Sr 2 SiS 4 -like phase up to 40% substitution of Sr 2+ by Ca 2+ . From 50% to 90% of substitution by Ca 2+ , phase separation was observed, leading to more complex emission spectra.These spectra were studied in detail using photoluminescence spectroscopy, cathodoluminescence microscopy and temperature dependent optical measurements. The thermal quenching temperature decreases from 470 K in Ca 2 SiS 4 :Eu 2+ to 380 K in Sr 2 SiS 4 :Eu 2+ upon increasing substitution of Ca 2+ by Sr 2+ . The possibilities of these materials as wavelength converters for white LEDs were evaluated.

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“…[1][2][3][4][5][6] Until now, most of the efforts to find new hosts relied on trial and error. An accurate and efficient methodology to design new materials would be a remarkable achievement.…”

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confidence: 99%

Assessment of First‐Principles and Semiempirical Methodologies for Absorption and Emission Energies of Ce³⁺‐Doped Luminescent Materials

Jia

Poncé

Miglio

et al. 2017

Advanced Optical Materials

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Abstract:In search of a reliable methodology for the prediction of light absorption and emission of Ce 3+ -doped luminescent materials, thirteen representative materials are studied with first-principles and semi-empirical approaches. In the first-principles approach, that combines constrained density-functional theory and ∆SCF, the atomic positions are obtained for both ground and excited states of the Ce 3+ ion. The structural information is fed into Dorenbos' semi-empirical model. Absorption and emission energies are calculated with both methods and compared with experiment. The first-principles approach matches experiment within 0.3 eV, with two exceptions at 0.5 eV. In contrast, the semi-empirical approach does not perform as well (usually more than 0.5 eV error). The general applicability of the present first-principles scheme, with an encouraging predictive power, opens a novel avenue for crystal site engineering and high-throughput search for new phosphors and scintillators. 2The 4f→5d transition of Ce 3+ ion has been widely used in the design of efficient luminescent systems such as white LED phosphors, scintillators and laser materials due to its spin-allowed character and its tunability as a function of the host material. [1-6] Until now, most of the efforts to find new hosts relied on trial and error. An accurate and efficient methodology to design new materials would be a remarkable achievement. With this idea in mind, a semi-empirical model has been proposed by Dorenbos, to describe Ce 3+ luminescence in inorganic compounds. [7] This semi-empirical model provides correct general trend for absorption.Unfortunately, it suffers from several drawbacks. First, its quantitative predictions rely on some fitting parameters, which have been determined only for oxide, nitride and fluoride materials at present.[6] Second, the semi-empirical model fails to predict the emission energy and Stokes shift. This limitation is due to missing experimental relaxed structure configurations in the excited state. These two shortcomings result in limited accuracy and scope of the semi-empirical approach.In a recent paper, we have explored a first-principles alternative to overcome the drawbacks of Dorenbos' semi-empirical model. [8] The successful quantitative description of the neutral excitation, emission energy and Stokes shift in two Ce 3+ -doped lanthanum silicate nitrides has been realized. Our approach is based on constrained density functional theory (CDFT) and the ∆SCF methods, following the early work by Marsman. [9] Recently, Canning and co-authors used CDFT to identify several promising hosts for efficient scintillators, but they did not study the emission and Stokes shifts. [10] In the present work, we assess the generality and accuracy of the proposed theoretical method, and compare it with Dorenbos' semi-empirical model. To do so, firstly we study from first principles the absorption, emission and Stokes shift of a set of thirteen representative Ce 3+ -doped materials that include oxides, nitrides and halid...

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Recent Developments in the Field of Inorganic Phosphors

Cited by 1,016 publications

References 122 publications

Ligand field density functional theory calculation of the 4f2 → 4f15d1 transitions in the quantum cutter Cs2KYF6:Pr3+

Ligand field density functional theory calculation of the 4f2 → 4f15d1 transitions in the quantum cutter Cs2KYF6:Pr3+

Structure and luminescence of (Ca,Sr)₂SiS₄ : Eu²⁺ phosphors

Assessment of First‐Principles and Semiempirical Methodologies for Absorption and Emission Energies of Ce³⁺‐Doped Luminescent Materials

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Recent Developments in the Field of Inorganic Phosphors

Cited by 1,016 publications

References 122 publications

Ligand field density functional theory calculation of the 4f2 → 4f15d1 transitions in the quantum cutter Cs2KYF6:Pr3+

Ligand field density functional theory calculation of the 4f2 → 4f15d1 transitions in the quantum cutter Cs2KYF6:Pr3+

Structure and luminescence of (Ca,Sr)2SiS4 : Eu2+ phosphors

Assessment of First‐Principles and Semiempirical Methodologies for Absorption and Emission Energies of Ce3+‐Doped Luminescent Materials

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Structure and luminescence of (Ca,Sr)₂SiS₄ : Eu²⁺ phosphors

Assessment of First‐Principles and Semiempirical Methodologies for Absorption and Emission Energies of Ce³⁺‐Doped Luminescent Materials