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Title: Vacancy-induced nanoscale phase separation in KxFe2–ySe₂ single crystals evidenced by Raman scattering and powder x-ray diffraction

Polarized Raman scattering spectra of KxFe2–ySe₂ were analyzed in terms of peculiarities of both I4/m and I4/mmm space group symmetries. The presence of the Raman active modes from both space group symmetries (16 Raman-active modes of the I4/m phase and two Raman-active modes of the I4/mmm phase) confirmed the existence of two crystallographic domains with different space group symmetry in a KxFe2–ySe₂ sample. High-resolution synchrotron powder x-ray diffraction structural refinement of the same sample confirmed the two-phase description, and determined the atomic positions and occupancies for both domains.
Authors:
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Publication Date:
OSTI Identifier:
1103079
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 86; Journal Issue: 5; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English