Joint Raman spectroscopic and quantum chemical analysis of the vibrational features of Cs 2 RuO 4

Joint Raman spectroscopic and quantum chemical analysis of the vibrational features of Cs 2 RuO 4

The Raman spectroscopic characterization of the orthorhombic phase of Cs RuO 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...

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Veröffentlicht in:Journal of Raman spectroscopy 2015-07, Vol.46 (7), p.661-668
Hauptverfasser: Naji, M, Di Lemma, F, Kovács, A, Beneš, O, Manara, D, Colle, J-Y, Pagliosa, G, Raison, P, Konings, R J M
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container_end_page 668
container_issue 7
container_start_page 661
container_title Journal of Raman spectroscopy
container_volume 46
creator Naji, M
Di Lemma, F
Kovács, A
Beneš, O
Manara, D
Colle, J-Y
Pagliosa, G
Raison, P
Konings, R J M
description The Raman spectroscopic characterization of the orthorhombic phase of Cs RuO 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 Cs RuO , Cs MoO , and Cs WO 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 RuO tetrahedra, which lead to a disorder at the RuO sites. © 2015 The Authors. published by John Wiley & Sons Ltd.
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title Joint Raman spectroscopic and quantum chemical analysis of the vibrational features of Cs 2 RuO 4
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