Synthesis of Pr3+ doped or Tb3+–Mg codoped CaSnO3 perovskite phosphor by the polymerized complex method

Nakamura, Taisuke; Shima, Masataka; Yasukawa, Masahiro; Ueda, Kazushige

doi:10.1007/s10971-011-2635-0

Cited by 22 publications

(16 citation statements)

References 18 publications

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“…Absolute values of C V and C P at room temperature (in units of J/(mol K)) are: 40 The formation Gibbs's free energy of the solid state reaction (8) is given in Table 1 at few different temperatures. The CaSnO 3 perovskite is found to be thermodynamically more stable than the two isolated oxides at all temperatures, which is consistent with the experimentally observed "irreversibility" of CaSnO 3 once formed from both oxides or molten salts [28,94,34,95,96,16,97].…”

Section: Phonon Dispersion and Thermodynamicssupporting

confidence: 86%

“…Calcium stannate, CaSnO 3 , is known as an effective phosphorous host [9][10][11][12][13][14][15][16][17][18][19][20], for its potential as constituent of multifunctional optoelectronic devices [21], and for its unconventional luminescent behavior [22][23][24]. At ambient conditions, CaSnO 3 exhibits a orthorhombic GdFeO 3 -type perovskite structure belonging to the P bnm space group, which is expected to be stable up to pressures of about 40 GPa and temperatures of about 2000 K [25].…”

Section: Introductionmentioning

confidence: 99%

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Thermal properties of the orthorhombic CaSnO3 perovskite under pressure from ab initio quasi-harmonic calculations

2016

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Structural, elastic and thermodynamic properties of the orthorhombic CaSnO 3 perovskite are theoretically investigated at the ab initio level as a function of temperature and pressure. Harmonic and quasiharmonic lattice dynamical calculations are performed with the Crystal program, by explicitly accounting for thermal expansion effects and by exploring the effect of several DFT functionals. The anisotropic, directional elastic response of the system is characterized up to 20 GPa of pressure. The thermal lattice expansion and elastic bulk modulus are described at simultaneous temperatures up to 2000 K and pressures up to 20 GPa. The Gibbs free energy of formation of CaSnO 3 from CaO and SnO 2 as a function of temperature is also addressed by means of fully-converged phonon dispersion calculations on the three systems.

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Section: Phonon Dispersion and Thermodynamicssupporting

confidence: 86%

Section: Introductionmentioning

confidence: 99%

Thermal properties of the orthorhombic CaSnO3 perovskite under pressure from ab initio quasi-harmonic calculations

2016

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“…[8][9][10][11][12][13][14][15][16] At ambient conditions, calcium stannate is a GdFeO 3type perovskite with an orthorhombic lattice characterized by the Pbnm space group and a structure which can be rationalized in terms of a framework of corner-sharing SnO 6 octahedra (see Figure 1). With respect to the ideal cubic structure, Pm3m, of many ABO 3 perovskites, SnO 6 octahedra are slightly tilted and distorted.…”

Section: Introductionmentioning

confidence: 99%

In silico infrared and Raman spectroscopy under pressure: The case of CaSnO3 perovskite

Maul

Erba

Santos

et al. 2015

The Journal of Chemical Physics

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The CaSnO3 perovskite is investigated under geochemical pressure, up to 25 GPa, by means of periodic ab initio calculations performed at B3LYP level with local Gaussian-type orbital basis sets. Structural, elastic, and spectroscopic (phonon wave-numbers, infrared and Raman intensities) properties are fully characterized and discussed. The evolution of the Raman spectrum of CaSnO3 under pressure is reported to remarkably agree with a recent experimental determination [J. Kung, Y. J. Lin, and C. M. Lin, J. Chem. Phys. 135, 224507 (2011)] as regards both wave-number shifts and intensity changes. All phonon modes are symmetry-labeled and bands assigned. The single-crystal total spectrum is symmetry-decomposed into the six directional spectra related to the components of the polarizability tensor. The infrared spectrum at increasing pressure is reported for the first time and its main features discussed. All calculations are performed using the Crystal14 program, taking advantage of the new implementation of analytical infrared and Raman intensities for crystalline materials.

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“…The samples with compositions (Y 1 À x Ln x )AlO 3 (x ¼0.0, 0.1, 0.5, Ln ¼ Pr, Eu, Gd, Tb, Lu) were prepared by a polymerized complex method as reported in a previous similar study [13]. [14].…”

Section: Introductionmentioning

confidence: 99%

Lanthanide 4f energy levels in perovskite-type YAlO3

Shimizu

Ueda

2015

Journal of Luminescence

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Synthesis of Pr3+ doped or Tb3+–Mg codoped CaSnO3 perovskite phosphor by the polymerized complex method

Cited by 22 publications

References 18 publications

Thermal properties of the orthorhombic CaSnO3 perovskite under pressure from ab initio quasi-harmonic calculations

Thermal properties of the orthorhombic CaSnO3 perovskite under pressure from ab initio quasi-harmonic calculations

In silico infrared and Raman spectroscopy under pressure: The case of CaSnO3 perovskite

Lanthanide 4f energy levels in perovskite-type YAlO3

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