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通过热漫散射得到的硫脲的弹性刚度系数

Elastic stiffness coefficients of thiourea from thermal diffuse scattering.

作者信息

Büscher Julia, Mirone Alessandro, Stękiel Michał, Spahr Dominik, Morgenroth Wolfgang, Haussühl Eiken, Milman Victor, Bosak Alexei, Ivashko Oleh, von Zimmermann Martin, Dippel Ann-Christin, Winkler Björn

机构信息

Institute of Geosciences, Goethe University Frankfurt, Altenhöferallee 1, Frankfurt am Main, Germany.

European Synchrotron Radiation Facility, 71 avenue des Martyrs, Grenoble, France.

出版信息

J Appl Crystallogr. 2021 Feb 1;54(Pt 1):287-294. doi: 10.1107/S1600576720016039.

DOI:10.1107/S1600576720016039
PMID:33833654
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7941310/
Abstract

The complete elastic stiffness tensor of thiourea has been determined from thermal diffuse scattering (TDS) using high-energy photons (100 keV). Comparison with earlier data confirms a very good agreement of the tensor coefficients. In contrast with established methods to obtain elastic stiffness coefficients ( Brillouin spectroscopy, inelastic X-ray or neutron scattering, ultrasound spectroscopy), their determination from TDS is faster, does not require large samples or intricate sample preparation, and is applicable to opaque crystals. Using high-energy photons extends the applicability of the TDS-based approach to organic compounds which would suffer from radiation damage at lower photon energies.

摘要

已利用高能光子（100 keV）通过热漫散射（TDS）测定了硫脲的完整弹性刚度张量。与早期数据的比较证实了张量系数的良好一致性。与获取弹性刚度系数的既定方法（布里渊光谱法、非弹性X射线或中子散射、超声光谱法）相比，通过TDS测定弹性刚度系数更快，不需要大尺寸样品或复杂的样品制备，并且适用于不透明晶体。使用高能光子扩展了基于TDS的方法对有机化合物的适用性，因为这些有机化合物在较低光子能量下会受到辐射损伤。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/87b5365ea401/j-54-00287-fig9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/fc1fcb18f049/j-54-00287-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/aa10066e1755/j-54-00287-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/7420ff46a4e8/j-54-00287-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/f45eecc7a5b6/j-54-00287-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/3ab33bb236bf/j-54-00287-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/62f7f11eac97/j-54-00287-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/f2d2ab33fff7/j-54-00287-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/c807c3e176de/j-54-00287-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/87b5365ea401/j-54-00287-fig9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/fc1fcb18f049/j-54-00287-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/aa10066e1755/j-54-00287-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/7420ff46a4e8/j-54-00287-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/f45eecc7a5b6/j-54-00287-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/3ab33bb236bf/j-54-00287-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/62f7f11eac97/j-54-00287-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/f2d2ab33fff7/j-54-00287-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/c807c3e176de/j-54-00287-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ff9/7941310/87b5365ea401/j-54-00287-fig9.jpg

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Raman scattering study of high-pressure phase transition in thiourea.硫脲高压相变的拉曼散射研究
J Phys Chem B. 2007 Sep 20;111(37):10915-9. doi: 10.1021/jp072604w. Epub 2007 Aug 28.
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Generalized Gradient Approximation Made Simple.广义梯度近似简化法
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