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Related papers: First-principles Study of the Luminescence of Eu2+…

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Understanding the physical mechanisms behind thermal effects in phosphors is crucial for white light-emitting diodes (WLEDs) applications, as thermal quenching of their photoluminescence might render them useless. The two chemically close…

Materials Science · Physics 2015-08-26 Samuel Ponce , Yongchao Jia , Matteo Giantomassi , Masayoshi Mikami , Xavier Gonze

In search of a reliable methodology for the prediction of light absorption and emission of Ce$^{3+}$-doped luminescent materials, 13 representative materials are studied with first-principles and semiempirical approaches. In the…

Materials Science · Physics 2017-08-22 Yongchao Jia , Samuel Poncé , Anna Miglio , Masayoshi Mikami , Xavier Gonze

Luminescence in Eu$^{2+}$ activated materials corresponds to a transition from an excited state where the lowest Eu 5$d$ level is filled with one electron (often called the (Eu$^{2+}$)$^*$ state) to the ground state with half-filled 4$f$…

Materials Science · Physics 2014-08-12 A. Chaudhry , R. Boutchko , S. Chourou , G. Zhang , N. Grønbech-Jensen , A. Canning

Currently,lanthanide ions doped luminescence materials applying as optical thermometers have arose much concern. Basing on the different responses of two emissions to temperature, the fluorescence intensity ratio (FIR) technique can be…

Materials Science · Physics 2023-02-22 Yude Niu , Yuzhen Wang , Kaiming Zhu , Wanggui Ye , Zhe Feng , Hui Liu , Xin Yi , Yihuan Wang , Xuanyi Yuan

We study from first principles the emission linewidth of Eu$^{2+}$-doped LED phosphors. Based on the one-dimensional configuration coordinate model, an analysis of first principles data obtained for fifteen compounds show that, at working…

Materials Science · Physics 2021-09-14 Yongchao Jia , Samuel Poncé , Anna Miglio , Masayoshi Mikami , Xavier Gonze

Rare-earth-doped nitride phosphors are promising materials for solid-state lighting and photonic applications due to their thermal stability, sharp emission lines, and strong UV-blue absorption. In this work, we present a first-principles…

White light-emitting diodes are gaining popularity and are set to become the most common light source in the U.S. by 2025. However, their performance is still limited by the lack of an efficient red-emitting component with a narrow band…

Materials Science · Physics 2023-07-10 Julien Bouquiaux , Samuel Poncé , Yongchao Jia , Anna Miglio , Masayoshi Mikami , Xavier Gonze

We study from first principles two lanthanum silicate nitride compounds, LaSi$_{3}$N$_{5}$ and La$_{3}$Si$_{6}$N$_{11}$, pristine as well as doped with Ce$^{3+}$ ion, in view of explaining their different emission color, and characterising…

Materials Science · Physics 2017-09-04 Yongchao Jia , Anna Miglio , Samuel Poncé , Xavier Gonze , Masayoshi Mikami

Expanding the operational range of luminescent thermometers that utilize thermally induced structural phase transitions in lanthanide-doped materials necessitates the exploration of novel host matrices with diverse thermal behaviors. In…

We investigate native point defects and rare-earth (co)dopants in SrAl$_2$O$_4$ using hybrid density-functional defect calculations. Europium (Eu) and dysprosium (Dy) are found to be mixed valence and energetically most favorable at the Sr…

Materials Science · Physics 2023-02-24 Khang Hoang

Using first-principles density functional theory calculations, we investigate the geometries, electronic structures, and thermodynamic stabilities of substitutionally doped phosphorene sheets with group III, IV, V, and VI elements. We find…

Computational Physics · Physics 2016-03-17 Weiyang Yu , Zhili Zhu , Chun-Yao Niu , Chong Li , Jun-Hyung Cho , Yu Jia

The remarkable sensitivity of the luminescent properties of Eu3+ ions to structural changes in host materials has been well-explored for years. However, the application of this feature of Eu3+ in materials exhibiting thermally induced…

Tungstate-based oxides have attracted significant attention owing to their excellent structural stability, chemical robustness, and versatile optical properties, making them suitable for next-generation optoelectronic and phosphor…

The results of the investigation of the spectral characteristics of new luminescent substances based on rare-earth ions Eu3 + and Tb3 + in matrices of double molybdates are presented in the article. The luminescence and excitation spectra…

We study light transport in phosphor plates of white light-emitting diodes (LEDs). We measure the broadband diffuse transmission through phosphor plates of varying YAG:Ce$^{3+}$ density. We distinguish the spectral ranges where absorption,…

Starting from the rigorous quantum-field-theory formalism we derive a formula for the screened conductivity designed to study the coupling of light with elementary electron excitations and the ensuing electromagnatic modes in…

Materials Science · Physics 2021-09-22 Dino Novko , Keenan Lyon , Duncan J. Mowbray , Vito Despoja

We review theories of phosphorescence in cyclometalated complexes. We focus primarily on pseudooctahedrally coordinated $t_{2g}^6$ metals (e.g., [Os(II)(bpy)$_3$]$^{2+}$, Ir(III)(ppy)$_3$ and Ir(III)(ptz)$_3$) as, for reasons that are…

Chemical Physics · Physics 2015-04-02 B. J. Powell

First principles calculations of rare earth (RE)-doped LaSi3N5 host lattice are performed to obtain the electronic structure, the band gap (BG), and the character of electronic transitions. Doping with both trivalent and bivalent RE cations…

Materials Science · Physics 2015-06-23 Ismail A. M. Ibrahim , Zoltan Lences , Pavol Sajgalik , Lubomir Benco , Martijn Marsman

TlSr2I5: Eu2+ is a newly discovered scintillator and show promising scintillation properties for X- and {\gamma}-rays spectroscopy applications. Two zones vertical Bridgman technique is used for the growth of this scintillator. Luminescence…

Instrumentation and Detectors · Physics 2017-09-18 H. J. Kim , Gul Rooh , Arshad Khan , H. Park , Sunghwan Kim

The crystal growth procedure and luminescence properties of pure and Eu$^{2+}$-doped BaBrI and SrBrI crystals are reported. Emission and excitation spectra were recorded under ultraviolet and vacuum ultraviolet excitations. The energy of…

Materials Science · Physics 2018-04-18 A. A. Shalaev , R. Shendrik , A. Myasnikova , A. Bogdanov , A. Rusakov , A. Vasilkovskyi
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