期刊
IUCRJ
卷 3, 期 -, 页码 309-318出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2052252516010629
关键词
high-T-c superconductors; HgBa2CuO4+delta; diffuse X-ray scattering; improved model
资金
- NCI National Computing Facility at the ANU
- Australian Research Council
Published diffuse X-ray scattering from the high-T-c superconductor HgBa2CuO4+delta has been reexamined with a view to developing a model that more satisfactorily accounts for the observed patterns. The present work agrees with the previous conclusion that the doping oxygen atoms form long and isolated interstitial chains that run in both tetragonal directions. However, a distinctly different model is proposed for the accompanying displacement patterns of the atoms surrounding these linear defects. In this new model it is proposed that it is the correlated shifts of the Ba atoms along the length of the defect chains that are the primary source of the observed scattering, and that the variations of intensity in the generated diffuse streaks of scattering originate from lateral shifts of both Hg and Ba atoms away from defects. The new model yields diffraction patterns that are in much more convincing agreement with the observations than the original model.
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