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|Title:||Joint Raman spectroscopic and quantum chemical analysis of the vibrational features of Cs2RuO4|
|Authors:||NAJI MOHAMED; DI LEMMA FIDELMA; KOVACS ATTILA; BENES ONDREJ; MANARA Dario; COLLE Jean-Yves; PAGLIOSA Giorgio; RAISON Philippe; KONINGS Rudy|
|Citation:||JOURNAL OF RAMAN SPECTROSCOPY vol. 46 no. 7 p. 661-668|
|Type:||Articles in periodicals and books|
|Abstract:||The Raman spectroscopic characterization of the orthorhombic phase of Cs2RuO4 was carried out by means of group theory and quantum chemical analysis. Multiple models based on ruthenate (VI+) tetrahedra were tested, and characterization of all the active Raman modes was achieved. A comparison of Raman spectra of Cs2RuO4, Cs2MoO4, and Cs2WO4 was also performed. Raman laser heating induced a phase transition from an ordered to a disordered structure. The temperature-phase transition was calculated from the anti-Stokes/Stokes ratio and compared with the ones measured at macroscopic scale. The phase transition is connected with tilting and/or rotations of RuO4 tetrahedra, which lead to a disorder at the RuO4 sites.|
|JRC Directorate:||Nuclear Safety and Security|
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