CMSP Seminar (Atomistic Simulation Webinar Series): Friday 24 September 2021 at 11 am

[OnlineCMSP]

Virtual - Zoom Meeting

CMSP Atomistic Simulation Webinar Series
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* * * *Friday, 24 September 2021 at 11:00 a.m.**(Rome time)* * * *

Speaker: *Alaa Mohammed Idris Bakhit (*MPC - Materials Physics Center, 
Donostia/San Sebastian, Spain)

Title: *Raman frequencies of diamond under non-hydrostatic pressure*

Register in advance at:
https://zoom.us/meeting/register/tJcvduutrDooGNBJpVJCRE7Z-LcEl51x5Akl

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Abstract:

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.

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