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Title

Structural, elastic and vibrational properties of celestite, SrSO4, from synchrotron x-ray diffraction, thermal diffuse scattering and Raman scattering

Authors
Girard, Adrien
Stekiel, Michal
Spahr, Dominik
Morgenroth, Wolfgang
Milman, Victor
Nguyen-Thanh, Tra
Mirone, Alessandro
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Published in Journal of Physics. Condensed Matter. 2019, vol. 31, no. 5, p. 055703
Abstract In order to resolve inconsistencies encountered in published data for SrSO, the elasticity and the phase stability of celestite has been studied using thermal diffuse scattering, high pressure powder synchrotron x-ray diffraction, Raman scattering and DFT calculations. The structure of SrSO is found to be stable up to 62 GPa at ambient temperature. The preferred values for the components of the elastic stiffness tensor have been determined using x-ray thermal diffuse scattering and are (in GPa): c₁₁ = 105, c₂₂ = 92 , c₃₃ = 114, c₄₄ = 16, c₅₅ = 31, c₆₆ = 26, c₁₂ = 40, c₁₃ = 52, c₂₃ = 37. The preferred value for the bulk modulus is K = 62(2) GPa. This work shows that thermal diffuse scattering collected at two temperatures allows the determination of the full elastic tensor of crystals with low space group symmetry.
Keywords Thermal diffuse scatteringElasticityElastic tensorX-ray diffractionRaman scatteringHigh pressureCelestite
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Structures
Research group Groupe Ruegg
Projects BMBF
DFG
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GIRARD, Adrien et al. Structural, elastic and vibrational properties of celestite, SrSO4, from synchrotron x-ray diffraction, thermal diffuse scattering and Raman scattering. In: Journal of Physics. Condensed Matter, 2019, vol. 31, n° 5, p. 055703. https://archive-ouverte.unige.ch/unige:112837

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Deposited on : 2019-01-11

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