Stress, strain and Raman shifts

Angel, R. J.; Murri, Mara; Mihailova, Boriana; Alvaro, Matteo

doi:10.1515/zkri-2018-2112

Cited by 105 publications

(118 citation statements)

References 33 publications

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“…Ashley, Steele‐MacInnis, Bodnar, & Darling, ). This phenomenon unequivocally demonstrates that the observed Raman shift is directly related to strains imposed on the crystal induced by changes in the applied temperature or pressure (Angel et al, ; Murri et al, ). For these reasons, the Raman shifts can provide information only on the strain state of the inclusion rather than pressure.…”

Section: Thermobarometric Methodsmentioning

confidence: 67%

“…Strains and Raman mode shifts are related through the Grünesien tensor parameters (Murri et al, ). Here, we used the stRAinMAN software (Angel et al, ) to calculate strains ε 1 + ε 2 and ε 3 imposed on the quartz crystallographic axes. For the volume strain calculations to obtain

P_{inc}^{normalv .s .}

, the product of calculated strain and unit cell parameters ( L o ) gives the lengths of the respective quartz unit cell axes in the strained inclusions ( L ).

L_{1} = \frac{ε_{1} + ε_{2}}{2} L_{normalo} + L_{normalo}

L_{3} = ε_{3} L_{normalo} + L_{normalo}

…”

Section: Thermobarometric Methodsmentioning

confidence: 99%

“…Thus, a quartz inclusion's stress state cannot be accurately determined from the hydrostatic calibration. Furthermore, Raman band frequencies change when the stress state of a quartz crystal is kept constant but the strain state is changed (Angel, Murri, Mihailova, & Alvaro, 2019), such as during heating at room pressure (e.g. Ashley, Steele-MacInnis, Bodnar, & Darling, 2016).…”

Section: Inclusion Remnant Pressure Calculationsmentioning

confidence: 99%

“…inc ), that account for deviatoric stress. P hyd inc values calculated from the 128, 206, and 464 cm −1 bands' hydrostatic calibrations are significantly different from one another with values of 1.8 ± 0.1, 2.0 ± 0.1, and 2.5 ± 0.1 kbar, respectively.We quantified elastic anisotropy using the 128, 206 and 464 cm −1 Raman band frequencies of quartz inclusions and stRAinMAN software (Angel, Murri, Mihailova, & Alvaro, 2019 , 234:129-140). The amount of elastic anisotropy in quartz inclusions varied by ~230%.…”

mentioning

confidence: 99%

“…We quantified elastic anisotropy using the 128, 206 and 464 cm −1 Raman band frequencies of quartz inclusions and stRAinMAN software (Angel, Murri, Mihailova, & Alvaro, 2019 , 234:129-140). The amount of elastic anisotropy in quartz inclusions varied by ~230%.…”

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confidence: 99%

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Quartz‐in‐garnet and Ti‐in‐quartz thermobarometry: Methodology and first application to a quartzofeldspathic gneiss from eastern Papua New Guinea

Gonzalez

Thomas

Baldwin

et al. 2019

Journal Metamorphic Geology

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Mineral inclusions are ubiquitous in metamorphic rocks and elastic models for host‐inclusion pairs have become frequently used tools for investigating pressure–temperature (P–T) conditions of mineral entrapment. Inclusions can retain remnant pressures (Pinc) that are relatable to their entrapment P–T conditions using an isotropic elastic model and P–T–V equations of state for host and inclusion minerals. Elastic models are used to constrain P–T curves, known as isomekes, which represent the possible inclusion entrapment conditions. However, isomekes require a temperature estimate for use as a thermobarometer. Previous studies obtained temperature estimates from thermometric methods external of the host‐inclusion system. In this study, we present the first P–T estimates of quartz inclusion entrapment by integrating the quartz‐in‐garnet elastic model with titanium concentration measurements of inclusions and a Ti‐in‐quartz solubility model (QuiG‐TiQ). QuiG‐TiQ was used to determine entrapment P–T conditions of quartz inclusions in garnet from a quartzofeldspathic gneiss from Goodenough Island, part of the (ultra)high‐pressure terrane of Papua New Guinea. Raman spectroscopic measurements of the 128, 206, and 464 cm−1 bands of quartz were used to calculate inclusion pressures using hydrostatic pressure calibrations (Pinchyd), a volume strain calculation (Pincnormalv.s.), and elastic tensor calculation (Pincnormale.t.), that account for deviatoric stress. Pinchyd values calculated from the 128, 206, and 464 cm−1 bands’ hydrostatic calibrations are significantly different from one another with values of 1.8 ± 0.1, 2.0 ± 0.1, and 2.5 ± 0.1 kbar, respectively. We quantified elastic anisotropy using the 128, 206 and 464 cm−1 Raman band frequencies of quartz inclusions and stRAinMAN software (Angel, Murri, Mihailova, & Alvaro, 2019, 234:129–140). The amount of elastic anisotropy in quartz inclusions varied by ~230%. A subset of inclusions with nearly isotropic strains gives an average Pincnormalv.s. and Pincnormale.t. of 2.5 ± 0.2 and 2.6 ± 0.2 kbar, respectively. Depending on the sign and magnitude, inclusions with large anisotropic strains respectively overestimate or underestimate inclusion pressures and are significantly different (<3.8 kbar) from the inclusions that have nearly isotropic strains. Titanium concentrations were measured in quartz inclusions exposed at the surface of the garnet. The average Ti‐in‐quartz isopleth (19 ± 1 ppm [2σ]) intersects the average QuiG isomeke at 10.2 ± 0.3 kbar and 601 ± 6°C, which are interpreted as the P–T conditions of quartzofeldspathic gneiss garnet growth and entrapment of quartz inclusions. The P–T intersection point of QuiG and Ti‐in‐quartz univariant curves represents mechanical and chemical equilibrium during crystallization of garnet, quartz, and rutile. These three minerals are common in many bulk rock compositions that crystallize over a wide range of P–T conditions thus permitting application of QuiG‐TiQ to many metamorphic rocks.

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Section: Thermobarometric Methodsmentioning

confidence: 67%

P_{inc}^{normalv .s .}

, the product of calculated strain and unit cell parameters ( L o ) gives the lengths of the respective quartz unit cell axes in the strained inclusions ( L ).

L_{1} = \frac{ε_{1} + ε_{2}}{2} L_{normalo} + L_{normalo}

L_{3} = ε_{3} L_{normalo} + L_{normalo}

…”

Section: Thermobarometric Methodsmentioning

confidence: 99%

Section: Inclusion Remnant Pressure Calculationsmentioning

confidence: 99%

mentioning

confidence: 99%

mentioning

confidence: 99%

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Quartz‐in‐garnet and Ti‐in‐quartz thermobarometry: Methodology and first application to a quartzofeldspathic gneiss from eastern Papua New Guinea

Gonzalez

Thomas

Baldwin

et al. 2019

Journal Metamorphic Geology

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Understanding the Origin of the Particularly Small and Anisotropic Thermal Expansion of MOF‐74

Kamencek

Schrode

Resel

et al. 2022

Advcd Theory and Sims

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Metal-organic frameworks often display large positive or negative thermal expansion coefficients. MOF-74, a material envisioned for many applications, shows a different behavior. Temperature-dependent X-ray diffraction reveals particularly small negative (positive) thermal expansion coefficients perpendicular (parallel) to the hexagonally arranged pores. These trends are explained by combining density-functional theory calculations with the Grüneisen theory of thermal expansion, which allows tracing back thermal expansion to contributions of individual phonons. On the macroscopic level, the small thermal expansion coefficients arise from compensation effects caused by the large coupling between perpendicular stress and strain and by the small magnitudes of the mean Grüneisen tensor elements, 〈𝜸〉. These provide information on how strains impact phonon frequencies. To understand the small value of 〈𝜸〉, the individual mode contributions are analyzed using the corresponding atomic motions. This reveals that only the lowest frequency modes up to ≈3 THz provide non-negligible contributions, such that 〈𝜸〉 drops sharply at higher temperatures. These considerations reveal, how the details of the anharmonic properties of specific phonon bands determine the magnitude and sign of thermal expansion in a prototypical material like MOF-74. Beyond that, the authors also discuss, how the choice of the theoretical methodology impacts the obtained results.

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Optical and magneto‐optical properties of pulsed laser‐deposited thulium iron garnet thin films

Sharma,

Ciubotariu,

Matthes

et al. 2023

Applied Research

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This work presents a combined optical and magneto‐optical spectroscopic study of thulium iron garnet (Tm3Fe5O12, TmIG) films on substituted gadolinium gallium garnet (Gd2.6Ca0.4Ga4.1Mg0.25Zr0.65O12, sGGG) substrates. Spectroscopic ellipsometry, transmission spectroscopy, magneto‐optical Kerr effect spectroscopy and Raman spectroscopy results are presented for TmIG films with a thickness in the range from 20 to 300 nm grown on sGGG by pulsed laser deposition. The complex dielectric functions of TmIG and sGGG are determined and compared with previously published results for bulk yttrium iron garnet and GGG, respectively. The magneto‐optical spectroscopy corroborated with Raman spectroscopy sheds light on strain‐induced changes as a function of TmIG film thickness.

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Stress, strain and Raman shifts

Cited by 105 publications

References 33 publications

Quartz‐in‐garnet and Ti‐in‐quartz thermobarometry: Methodology and first application to a quartzofeldspathic gneiss from eastern Papua New Guinea

Quartz‐in‐garnet and Ti‐in‐quartz thermobarometry: Methodology and first application to a quartzofeldspathic gneiss from eastern Papua New Guinea

Understanding the Origin of the Particularly Small and Anisotropic Thermal Expansion of MOF‐74

Optical and magneto‐optical properties of pulsed laser‐deposited thulium iron garnet thin films

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