Uncertainty in linewidth quantification of overlapping Raman bands

Saltonstall, Christopher B.; Beechem, Thomas E.; Amatya, J. M.; Floro, Jerrold A.; Hopkins, Patrick E.

doi:10.1063/1.5064804

Cited by 8 publications

(2 citation statements)

References 28 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Other authors have shown through numerical models that the fitting uncertainty can be significantly smaller than the pixel width when that pixel/FWHM ratio is small and the system is well constrained. [65][66][67] The asymmetric peak broadening was evaluated by calculating the asymmetry factor, J, defined as the ratio of HWHM2 to HWHM1. An asymmetry factor of 1 indicates symmetric peak broadening.…”

Section: Resultsmentioning

confidence: 99%

Raman characterization of phonon confinement and strain effects from latent ion tracks in α‐quartz

Toro

Crespillo

Olivares

et al. 2021

J Raman Spectroscopy

View full text Add to dashboard Cite

This study reports phonon confinement and strain effects in the Raman spectrum of ion-irradiated and subsequently etched α-quartz. Y-and Z-cut α-quartz single crystals were irradiated at room temperature with 20-MeV Ni 6+ and 40-MeV I 7+ ions. Latent ion tracks were produced with areal densities ranging from the isolated track regime to the overlapping track regime (nominal fluences of 1 Â 10 9 , 1 Â 10 10 , and 1 Â 10 11 ions cm À2 ). Nanowell structures were revealed after vapor etching with hydrofluoric acid (HF) aqueous solutions. A phonon confinement model was invoked to explain the observed changes in the shape of the strong Raman peak located around 463 cm À1 .

show abstract

Section: Resultsmentioning

confidence: 99%

Raman characterization of phonon confinement and strain effects from latent ion tracks in α‐quartz

Toro

Crespillo

Olivares

et al. 2021

J Raman Spectroscopy

View full text Add to dashboard Cite

show abstract

“…The common method for detecting overlap is visual inspection of the spectrum and of the peak fitting residuals. This depends on the spectral resolution of the equipment, the Raman background, and the signal-to-noise ratio (Saltonstall et al, 2019). Some investigators fitted overlapping peaks with two or more peak functions per Raman band (e.g., Geisler & Pidgeon, 2002;Kempe et al, 2018;Nasdala et al, 2002); this is however not useful for interpreting such fits in terms of radiation damage.…”

Section: Table 1 Radiation-damage Calibrationmentioning

confidence: 99%

Multi‐Band Raman Analysis of Radiation Damage in Zircon for Thermochronology: Partial Annealing and Mixed Signals

Härtel

Jonckheere

Ratschbacher

2022

Geochem Geophys Geosyst

View full text Add to dashboard Cite

Thermochronology studies the timing and rates of geologic phenomena based on the radioactive processes occurring within natural minerals. At the same time, these processes damage the mineral, changing its properties over time. Measurements of self-irradiation damage are thus an important part of thermochronologic studies. Such measurements broke ground for: (a) zircon Raman dating, in which the self-irradiation damage itself is a measure of the age of the sample (Härtel, Jonckheere, Wauschkuhn, Hofmann, et al., 2021;Pidgeon, 2014); (b) the refinement of thermochronometers, whose results are influenced by self-irradiation damage, for example, (U-Th)/ He dating (Anderson et al., 2020;Guenthner et al., 2013); and (c) the applicability of provenance studies, using Raman characteristics of detrital zircons to distinguish thermal histories (Garver & Davidson, 2015;Resentini et al., 2020).Zircon (ZrSiO 4 ) substitutes U and Th for Zr in its structure. Disintegration of 238 U, 235 U, 232 Th, and their daughters damages the lattice by the emission of α-particles and the recoil of the daughter nuclei (Bohr, 1948;Joly, 1907;Mügge, 1922). An α-particle displaces ∼10 2 atoms toward the end of its ∼10-20 μm trajectory through the

show abstract

A correlation between hydroxyl vibrations under compression and anharmonicity: glaucophane as a test case

Williams

2023

Phys Chem Minerals

View full text Add to dashboard Cite

The infrared hydroxyl bands and first hydroxyl combination bands of glaucophane are characterized under pressure. In this weakly hydrogen-bonded mineral, the anharmonicity parameter, as determined from the difference between combinations and the fundamentals, is nearly constant with pressure to 15 GPa, indicating that the ambient pressure value of hydroxyl-bond anharmonicity closely reflects its value at high pressures. Given this near-constancy, the Grüneisen parameters of the hydroxyl stretching vibrations of a wide range of minerals, as derived from the pressure dependence of their O–H stretching frequencies, are correlated with the anharmonic parameter of each vibration, as determined from the ambient pressure offset of the summed frequencies of the fundamental n = 0 to 1 transitions and the frequency of the hydroxyl combination or overtone band corresponding to the n = 0 to 2 transition. This correlation is motivated by (1) the anharmonic origin of the Grüneisen parameter; and (2) the grossly similar form of the interatomic potential governing weak- and medium-strength hydrogen bonding in many minerals. This possible correlation provides a means through which the likely pressure-induced hydroxyl mode shifts of phases might be estimated from ambient pressure near-infrared measurements and emphasizes the importance of near-infrared combination/overtone band measurements. In this context, the combination/overtone bands of high-pressure hydrous phases are almost completely uncharacterized, and thus one probe of their anharmonicity has been neglected. Such information directly constrains the nature of hydrogen bonding in these phases, and hence provides possible insights into both their retention of hydrogen and its mobility. Deviations from the anharmonicity-Grüneisen parameter correlation, when observed (as may be the case in prehnite), could provide insights into anomalous effects on the hydroxyl potential well induced by bifurcated H-bonds, pressure-dependent Davydov splitting, or the influence of neighboring cations.

show abstract

Uncertainty in linewidth quantification of overlapping Raman bands

Cited by 8 publications

References 28 publications

Raman characterization of phonon confinement and strain effects from latent ion tracks in α‐quartz

Raman characterization of phonon confinement and strain effects from latent ion tracks in α‐quartz

Multi‐Band Raman Analysis of Radiation Damage in Zircon for Thermochronology: Partial Annealing and Mixed Signals

A correlation between hydroxyl vibrations under compression and anharmonicity: glaucophane as a test case

Contact Info

Product

Resources

About