Calculation and optimization of LaBr3–MBr (Li–Cs) phase diagrams by CALPHAD method

Pilarek, Bożena; Salamon, Beata; Kapała, Jan

doi:10.1016/j.calphad.2014.10.005

Cited by 10 publications

(3 citation statements)

References 15 publications

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“…In this work, we employed a new flux pair of LaBr 3 /NaBr to grow crystals of LaBrVIO 4 (VI = Mo and W) and rare earth-doped samples. The LaBr 3 /NaBr (molar ratio = 1:2) flux was theoretically predicted to have a low eutectic point temperature close to 1023 K . Single phase samples and large crystals of LaBrVIO 4 (VI = Mo and W) and rare earth-doped samples were successfully grown by the LaBr 3 /NaBr flux (Figures S1–S6).…”

Section: Resultsmentioning

confidence: 99%

“…79 In this work, we employed a new flux pair of LaBr 3 /NaBr to grow crystals of LaBrVIO 4 (VI = Mo and W) and rare earth-doped samples. The LaBr 3 /NaBr (molar ratio = 1:2) flux was theoretically predicted to have a low eutectic point temperature close to 1023 K. 87 Crystal Structure. LaBrWO 4 is isostructural to LaBrMoO 4 , which belongs to the REBrVIO 4 (RE = Y and La−Lu; VI = Mo and W) system.…”

Section: ■ Introductionmentioning

confidence: 99%

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Heteroanionic LaBrVIO₄ (VI = Mo, W): Excellence in Both Nonlinear Optical Properties and Photoluminescent Properties

Jiao,

Mireles,

Ensz

et al. 2023

Chem. Mater.

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Five heteroanionic oxybromides, LaBrMoO4, LaBrWO4, (La0.9Sm0.1)BrMoO4, (La0.9Sm0.1)BrWO4, and (La0.9Dy0.1)BrWO4, were grown by a high-temperature salt flux method. Millimeter-sized crystals were collected after salt flux was removed by DI water. The crystal structures were accurately determined by single-crystal X-ray diffraction. LaBrMoO4 is isostructural to LaBrWO4. The substitution of lanthanum for rare earth elements does not change the crystal structure. LaBrWO4 is the first acentric tungsten-containing compound of the REBrVIO4 (RE = Y, La–Lu; VI = Mo, W) system. The bonding picture of LaBrWO4 was understood by crystal orbital Hamilton population calculations (COHP) and electron localization function (ELF) analysis, which confirmed the uncommon 4 + 1 coordination of tungsten surrounded by oxygen atoms. Linear optical properties such as bandgaps, infrared spectrum (IR), and birefringence of the title compounds were recorded in this work. LaBrMoO4 exhibits a moderate second harmonic generation (SHG) response of 0.47× KH2PO4 (KDP) for incident 1064 nm radiation. LaBrWO4 and (La0.9Dy0.1)BrWO4 exhibit superior SHG responses of 1.66× KDP and 3.71× KDP for samples for incident 1064 nm radiation, respectively. All measured samples exhibited type-I phase matching behavior. Density function calculations (DFT) verified that the optical properties of LaBrMoO4 and LaBrWO4 are predominantly controlled by [VIO5]VI = Mo,W units. Via the rare earth elements Sm and Dy doping, LaBrMoO4 and LaBrWO4 emit visible lights of various wavelengths upon UV light excitation. The distortion of lambda-shaped one-dimensional (1D) [VIO5]VI = Mo,W strands plays an important role in enhancing nonlinear optical properties and photoluminescent properties within LaBrWO4 and (La0.9Dy0.1)BrWO4 compared with LaBrMoO4.

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Section: Resultsmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

Heteroanionic LaBrVIO₄ (VI = Mo, W): Excellence in Both Nonlinear Optical Properties and Photoluminescent Properties

Jiao,

Mireles,

Ensz

et al. 2023

Chem. Mater.

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“…Existence of the associates in a system always results in a deviation from the behavior of regular solutions. Previous work [20] leads to a conclusion that the Associate Model [21,22] is most suitable for describing the liquid phase of this kind of systems.…”

Section: Calphad Methodsmentioning

confidence: 97%

Phase diagram of NdI3–RbI pseudo-binary system. Thermodynamic properties of solid compounds

Salamon

Rycerz

Kapała

et al. 2015

Fluid Phase Equilibria

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Effects of Multilayer Electromagnetic Stirring on the Microstructure and Properties of a Hypereutectic Al-Si Alloy

Geng,

Wu,

Niu

et al. 2024

JOM

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Calculation and optimization of LaBr3–MBr (Li–Cs) phase diagrams by CALPHAD method

Cited by 10 publications

References 15 publications

Heteroanionic LaBrVIO₄ (VI = Mo, W): Excellence in Both Nonlinear Optical Properties and Photoluminescent Properties

Heteroanionic LaBrVIO₄ (VI = Mo, W): Excellence in Both Nonlinear Optical Properties and Photoluminescent Properties

Phase diagram of NdI3–RbI pseudo-binary system. Thermodynamic properties of solid compounds

Effects of Multilayer Electromagnetic Stirring on the Microstructure and Properties of a Hypereutectic Al-Si Alloy

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Calculation and optimization of LaBr3–MBr (Li–Cs) phase diagrams by CALPHAD method

Cited by 10 publications

References 15 publications

Heteroanionic LaBrVIO4 (VI = Mo, W): Excellence in Both Nonlinear Optical Properties and Photoluminescent Properties

Heteroanionic LaBrVIO4 (VI = Mo, W): Excellence in Both Nonlinear Optical Properties and Photoluminescent Properties

Phase diagram of NdI3–RbI pseudo-binary system. Thermodynamic properties of solid compounds

Effects of Multilayer Electromagnetic Stirring on the Microstructure and Properties of a Hypereutectic Al-Si Alloy

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Product

Resources

About

Heteroanionic LaBrVIO₄ (VI = Mo, W): Excellence in Both Nonlinear Optical Properties and Photoluminescent Properties

Heteroanionic LaBrVIO₄ (VI = Mo, W): Excellence in Both Nonlinear Optical Properties and Photoluminescent Properties