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Measurement of strains in zircon inclusions by Raman spectroscopy

Stangarone, Claudia and Angel, Ross J. and Prencipe, Mauro and Campomenosi, Nicola and Mihailova, Boriana and Alvaro, Matteo (2019) Measurement of strains in zircon inclusions by Raman spectroscopy. European Journal of Mineralogy, 31 (4), pp. 685-694. E. Schweizerbart'sche Verlagsbuchhandlung. doi: 10.1127/ejm/2019/0031-2851. ISSN 0935-1221.

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We have carried out ab initio hybrid Hartree-Fock/Density Functional Theory simulations to determine the structure and vibrational modes of zircon, ZrSiO4, as a function of different applied strains. The changes in phonon-mode wavenumbers are approximately linear in the unit-cell strains, and have been fitted to determine the components of the phonon-mode Grüneisen tensors of zircon which reproduce the change in measured Raman shifts with pressure. They can therefore be used to convert Raman shifts measured from zircon inclusions in metamorphic rocks into strains that in turn can be used to determine the metamorphic conditions at the time that the inclusion was trapped. Due to the strong anisotropy in the thermal pressure of zircon, the phonon-mode Grüneisen tensor is not able to reproduce the temperature-induced changes in Raman shifts. Because zircon inclusions are normally measured at room conditions this does not prevent the calculation of their entrapment conditions.

Item URL in elib:https://elib.dlr.de/131561/
Document Type:Article
Title:Measurement of strains in zircon inclusions by Raman spectroscopy
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Stangarone, ClaudiaClaudia.Stangarone (at) dlr.deUNSPECIFIED
Angel, Ross J.Department of Earth and Environmental Sciences, University of PaviaUNSPECIFIED
Prencipe, MauroEarth Sciences Department, University of TorinoUNSPECIFIED
Campomenosi, NicolaDepartment of Earth Science, Environment and Life, University of GenoaUNSPECIFIED
Mihailova, BorianaDepartment of Earth Sciences, University of HamburgUNSPECIFIED
Alvaro, MatteoDepartment of Earth and Environmental Sciences, University of PaviaUNSPECIFIED
Journal or Publication Title:European Journal of Mineralogy
Refereed publication:Yes
Open Access:Yes
Gold Open Access:Yes
In ISI Web of Science:Yes
DOI :10.1127/ejm/2019/0031-2851
Page Range:pp. 685-694
Publisher:E. Schweizerbart'sche Verlagsbuchhandlung
Keywords:zircon, Raman Spectroscopy, geobarometry, ultra high pressure
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Space
HGF - Program Themes:Space Exploration
DLR - Research area:Raumfahrt
DLR - Program:R EW - Space Exploration
DLR - Research theme (Project):R - Project BepiColombo - MERTIS and BELA
Location: Berlin-Adlershof
Institutes and Institutions:Institute of Planetary Research > Leitungsbereich PF
Deposited By: Stangarone, Claudia
Deposited On:02 Dec 2019 15:08
Last Modified:23 Feb 2021 04:12

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