Raman activity of sp(3) carbon allotropes under pressure: A density functional theory study

Flores-Livas, Jose A. and Lehtovaara, Lauri and Amsler, Maximilian and Goedecker, Stefan and Pailhes, Stephane and Botti, Silvana and San Miguel, Alfonso and Marques, Miguel A. L.. (2012) Raman activity of sp(3) carbon allotropes under pressure: A density functional theory study. Physical review B: Condensed matter and materials physics, 85 (15). p. 155428.

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Official URL: https://edoc.unibas.ch/76344/

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Raman spectroscopy is a powerful tool to study the intrinsic vibrational characteristics of crystals, and, therefore, it is an adequate technique to explore phase transitions of carbon under pressure. However, the diamond-anvil cell, which is used in experiments to apply pressure, appears as a broad intense feature in the spectra. This feature lies, unfortunately, in the same range as the principal modes of recently proposed sp(3) carbon structures. As these modes are hard to distinguish from the diamond cell background, we analyze all Raman-active modes present in the sp(3) carbon structures in order to find detectable fingerprint features for an experimental identification.
Faculties and Departments:05 Faculty of Science > Departement Physik > Physik > Physik (Goedecker)
UniBasel Contributors:Goedecker, Stefan
Item Type:Article, refereed
Article Subtype:Research Article
Publisher:American Physical Society
Note:Publication type according to Uni Basel Research Database: Journal article
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Last Modified:22 Apr 2020 08:13
Deposited On:22 Apr 2020 08:13

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