Ordering of the heavy anions in mixed<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi>BaFBr</mml:mi><mml:mn>0.5</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">I</mml:mi><mml:mn>0.5</mml:mn></mml:msub></mml:mrow></mml:math>crystals: Experimental results

Rey, Julien; Bill, Hans; Hagemann, Hans‐Rudolf; Kübel, Frank

doi:10.1103/physrevb.72.184107

Cited by 5 publications

(2 citation statements)

References 21 publications

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“…Crystals of the matlockite (PbFCl) family have been the subject of numerous investigations with respect to a variety of potential applications such as room temperature hole burning [1], 5 Author to whom any correspondence should be addressed.…”

Section: Introductionmentioning

confidence: 99%

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Mixed PbFBr_1−xI_xcrystals: structural and spectroscopic investigations

Hagemann

Rief

Kübel

et al. 2007

J. Phys.: Condens. Matter

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Mixed single PbFBr 1−x I x crystals have been prepared. X-ray powder diffraction structure determinations show that all samples crystallize with the matlockite structure. However, the single crystal structure of PbFBr 0.5 I 0.5 involves not only fractional occupation of one site corresponding to the stoichiometry, but also split positions of the Pb 2+ ion. Raman spectra reveal the presence of new additional bands with respect to PbFBr and PbFI. DFT calculations of lattice vibrations for PbFI show good agreement with experimental spectra. The calculated phonon dispersion curve suggests that for the mixed crystals the centre of inversion is conserved locally. These combined results suggest the presence of domains with ordered F-Pb-Br-Br-Pb-F and F-Pb-I-I-Pb-F layers in the mixed crystals. Calculations on PbFBr 0.5 I 0.5 show that this suggested structure is more stable than the structure consisting of the F-PbBr-I-Pb-F arrangement.

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Section: Introductionmentioning

confidence: 99%

“…In the course of our investigations on mixed PbFCl-type crystals, we have studied crystals of BaFBr 1−x I x [5]. In contrast to other mixed crystals of this family, e.g.…”

Section: Introductionmentioning

confidence: 99%