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Heavy alkali-metal intercalated fullerenes under high pressure and high temperature conditions: Rb6C60 and Cs6C60

Abstract : In this thesis, we explore the phase diagram of the heavy alkali metal intercalated fullerenes, Rb6C60 and Cs6C60, under high pressure (<50 GPa) and high temperature conditions (from ambient to 1500 K).

The work includes a series of X-ray absorption spectroscopy, X-ray diffraction and Raman spectroscopy measurements as well as ab initio DFT calculations under pressure.

By coupling both experiments and calculations, we observed that the presence of strong ionic interactions between each molecule and the alkali metal ions, prevents fullerene polymerization under pressure. In the case of Cs6C60, this allows to extend the pressure stability of the C60 molecules more than twice with respect to pristine solid C60. In the case of Rb6C60 a phase transition, is observed at 35 GPa.

A pressure induced enhanced deformation of the fullerene molecule in the studied systems has been evidenced. The compressibility of the both crystals has been measured and calculated.
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Contributor : Roberta Poloni <>
Submitted on : Thursday, December 6, 2007 - 6:26:45 PM
Last modification on : Thursday, October 15, 2020 - 9:00:04 AM
Long-term archiving on: : Monday, April 12, 2010 - 6:31:15 AM

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Roberta Poloni. Heavy alkali-metal intercalated fullerenes under high pressure and high temperature conditions: Rb6C60 and Cs6C60. Physics [physics]. Université Claude Bernard - Lyon I, 2007. English. ⟨tel-00194610⟩

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