Raman frequencies of diamond under non-hydrostatic pressure

The Raman frequencies of diamond subjected to non-hydrostatic uniaxial stress along the [001] and [111] crystallographic axes have been calculated with density-functional-theory methods and the results fitted to a simple analytical form. The data are analyzed in the context of the recently proposed...

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Bibliographic Details
Published in:Applied physics letters 2021-11, Vol.119 (21)
Main Authors: Mohammed Idris Bakhit, Alaa, Mutisya, S., Scandolo, S.
Format: Article
Language:English
Subjects:
Anvils
Applied physics
Crystallography
Diamonds
Hydrostatic pressure
Shear stress
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Summary:The Raman frequencies of diamond subjected to non-hydrostatic uniaxial stress along the [001] and [111] crystallographic axes have been calculated with density-functional-theory methods and the results fitted to a simple analytical form. The data are analyzed in the context of the recently proposed use of the shift of the high-frequency edge of the Raman band of diamond as a pressure scale in diamond-anvil cell experiments. Combining theoretical and experimental data, we are able to determine the stress state of the diamond anvil in ultra-high-pressure experiments. We find that shear stresses close to the tip of the anvil can reach values exceeding 1 Mbar.
ISSN:0003-6951
1077-3118
DOI:10.1063/5.0069818