X-ray spectroscopic and first-principles investigation of lead tungstate under pressure

Ablett, James; Shieh, Sean R.; Balédent, V.; Woicik, J. C.; Cockayne, Eric; Shirley, Eric L.

doi:10.1103/physrevb.104.054119

Cited by 6 publications

(3 citation statements)

References 45 publications

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“…29 The precise structure of this high-pressure form has not yet been established. 30 Recent synchrotron X-ray and neutron powder diffraction studies of two other tetragonal ABO 4 scheelites with ns 2 lone pair-containing cations on the A site, TlReO 4 and Bi 3 FeMo 2 O 12 , 31,32 showed the absence of any stereochemical influence of the 6s 2 lone pairs in the long-range average structure. However, in both of these examples, neutron total scattering methods showed the local symmetry to be lower than the average tetragonal structure as a consequence of uncorrelated displacements associated with the 6s 2 lone pairs.…”

Section: ■ Introductionmentioning

confidence: 98%

“…Early studies suggested that under pressure, PbWO 4 transforms to the monoclinic fergusonite-type structure, , although more recent Raman studies suggest that at ∼7 GPa PbWO 4 transforms to a different monoclinic structure in which the W 6+ cations are octahedrally coordinated . The precise structure of this high-pressure form has not yet been established …”

Section: Introductionmentioning

confidence: 99%

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Seeing the Unseen: The Structural Influence of the Lone Pair Electrons in PbWO₄

Mullens,

Marlton,

Nicholas

et al. 2024

Inorg. Chem.

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Pair distribution function (PDF) analysis of the scheelite-type material PbWO 4 reveals previously unidentified shortrange structural distortions in the PbO 8 polyhedra and WO 4 tetrahedra not observed in the similarly structured CaWO 4 . These local distortions are a result of the structural influence of the Pb 2+ 6s 2 lone pair electrons. These are not evident from the Rietveld analysis of synchrotron X-ray or neutron powder diffraction data, nor do they strongly influence the X-ray PDF (XPDF). This illustrates the importance of neutron PDF (NPDF) in the study of such materials. First-principles density function theory (DFT) calculations show that the Pb 2+ 6s 2 electrons are hybridized with the O 2− 2p electrons near the Fermi level. The presence of local-scale distortions has previously been neglected in studies of structure−functionality relationships in PbWO 4 and other scheelite-structured photocatalytic materials, including BiVO 4 , and this observation opens new avenues for their optimization.

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Section: ■ Introductionmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Seeing the Unseen: The Structural Influence of the Lone Pair Electrons in PbWO₄

Mullens,

Marlton,

Nicholas

et al. 2024

Inorg. Chem.

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“…PbWO 4 occurs naturally in two forms: stolzite (scheelite structure with WO 4 tetrahedra) and Raspite (overlapping WO 6 octahedra), with the latter being synthesized. (12,13) This study investigates the effect of the active medium length on characteristic of three pulses generated by the optical system. These pulses are anti-Stokes pulse with Stokes pulse as well as the passive Q-switching pulse.…”

Section: Introductionmentioning

confidence: 99%

Study of Active Medium Length Effect on Characteristics of Passive QSwitching and Stokes with Anti-Stokes Pulse

Hussein,

Salih

2024

IJST

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Objective: To study the effect of active medium length on the characteristics of passive Q-switching pulses, Stokes pulses, and anti-Stokes pulses generated by laser-Raman medium interaction in optical systems, theoretically. Methods: The optical system consists of Nd+3:YVO4, PbWO4, and Cr+4:YAG as active mediums, Raman medium, and saturable absorber materials, respectively. The rate equations model has been used in the study, and the Rung-Kutta-Fehelberg numerical method was used to solve the rate equations. Finding: The result shows that, decreasing of the active medium length leads to emit high power pulses at advanced time. It also leads to increase in initial value and the maximum value of population inversion density, and leads to increase in the energy of passive Q-switching pulses, Stokes pulses, and anti-Stokes pulses. So the decreasing of the active medium length leads to decrease in the pulses duration and the final population inversion density. To increase the power of the three generated pulses, the length of the active medium used in the system must be decreased. Novelty: The characteristics of two pulses generated by Laser-Raman interaction (passive Q-switching pulse and Stokes pulse) have been of interest in some studies. This study investigates the effect of the active medium length on the characteristics of three pulses generated (anti-Stokes pulse with Stokes pulse as well as the passive Q-switching pulses) by the optical system rather than two pulses. Keywords: Laser; Nd+3 :YVO4; passive Q-switching pulse; Stokes and anti-Stokes pulses 1

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Finding a needle in a haystack: quantitative HERFD-XRF imaging and HERFD-XANES characterization of trace platinum in gold solidi from the Late Roman and Byzantine Empires

Van Loon,

Finfrock,

Meira

et al. 2025

J. Anal. At. Spectrom.

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X-ray spectroscopic and first-principles investigation of lead tungstate under pressure

Cited by 6 publications

References 45 publications

Seeing the Unseen: The Structural Influence of the Lone Pair Electrons in PbWO₄

Seeing the Unseen: The Structural Influence of the Lone Pair Electrons in PbWO₄

Study of Active Medium Length Effect on Characteristics of Passive QSwitching and Stokes with Anti-Stokes Pulse

Finding a needle in a haystack: quantitative HERFD-XRF imaging and HERFD-XANES characterization of trace platinum in gold solidi from the Late Roman and Byzantine Empires

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X-ray spectroscopic and first-principles investigation of lead tungstate under pressure

Cited by 6 publications

References 45 publications

Seeing the Unseen: The Structural Influence of the Lone Pair Electrons in PbWO4

Seeing the Unseen: The Structural Influence of the Lone Pair Electrons in PbWO4

Study of Active Medium Length Effect on Characteristics of Passive QSwitching and Stokes with Anti-Stokes Pulse

Finding a needle in a haystack: quantitative HERFD-XRF imaging and HERFD-XANES characterization of trace platinum in gold solidi from the Late Roman and Byzantine Empires

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Seeing the Unseen: The Structural Influence of the Lone Pair Electrons in PbWO₄

Seeing the Unseen: The Structural Influence of the Lone Pair Electrons in PbWO₄