Friedrich, Daniel and Schlosser, Marc and Etter, Martin and Pfitzner, Arno (2017) Influence of Alkali Metal Substitution on the Phase Transition Behavior of CsGaQ(2) (Q = S, Se). CRYSTALS, 7 (12): 379. ISSN 2073-4352,
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The formation of solid solution series Cs(1-x)M(x)GaQ(2)-mC64 (M = K, Rb; Q = S, Se; x = 0-1) was studied by X-ray diffraction and spectroscopic methods, revealing a complete miscibility of CsGaQ(2)-mC64 with RbGaQ(2) and KGaSe2, and a large miscibility gap with KGaS2. All solid solution members exhibit similar Raman spectra, indicating the covalent Ga-Q bonding character. The similar optical band gaps likewise further contribute to this conclusion. Up to a certain degree of substitution, these solid solutions undergo a phase transition similar to CsGaQ(2)-mC64. The influence of the substitution parameter x on phase transition process was investigated in situ using high-temperature X-ray powder diffraction experiments. Phase-pure solid solutions of the high-temperature polymorphs Cs(1-x)M(x)GaQ(2)-mC16 were obtained up to x(max)(K) = 0.1 and x(max)(Rb) = 0.3. The crystal structures of these new CsGaQ(2)-mC16 analogous high-temperature phases were refined from synchrotron diffraction data by Rietveld-refinement.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | CRYSTAL-STRUCTURE; STRUCTURAL-CHARACTERIZATION; PHYSICAL-PROPERTIES; GALLIUM; KINETICS; KFES2; chalcogenogallates; polymorphism; solid solutions; in situ X-ray diffraction; synchrotron radiation; Rietveld refinement |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Arno Pfitzner |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 14 Dec 2018 13:18 |
| Last Modified: | 28 Feb 2019 11:14 |
| URI: | https://pred.uni-regensburg.de/id/eprint/1727 |
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