Three-dimensional Atomic Configurations in a ZnFe2O4 Single Crystal by X-ray Fluorescence Holography

• Published in: E-journal of surface science and nanotechnology Vol. 23; no. 1; pp. 77 - 82
• Main Authors: Hosokawa, Shinya, Hayashi, Koichi, Matsushita, Tomohiro, Happo, Naohisa
• Format: Journal Article
• Language: English; Japanese
• Published: Tokyo The Japan Society of Vacuum and Surface Science 22.02.2025; 公益社団法人 日本表面真空学会; Japan Science and Technology Agency
• Subjects: Atom-resolved holography; Cation exchanging; Element-sensitive; Fine structure; L1-regularized linear regression; Neutron diffraction; Room temperature; Single crystals; Sparse modeling; Spinel structure; X ray absorption; X ray holography; X-ray fluorescence; Zinc; Zinc ferrites
• ISSN: 1348-0391; 1348-0391
• DOI: 10.1380/ejssnt.2025-006

Three dimensional atomic structures of a zinc ferrite Franklinite ZnFe2O4 crystal were investigated by X-ray fluorescence holography with an atom-resolved and element-selected functions at room temperature. The obtained holograms were analyzed using a sparse modeling approach of a L1-regression. From the present experiment and analysis, it was found that Zn atoms are located at tetrahedral A sites, which is in good agreement with the existing X-ray diffraction data. On the other hand, well-damped atomic images are observed around the central Fe atom. The present results are discussed by comparing with existing neutron diffraction and X-ray absorption fine structure experiments, where cation exchange occurs between Zn and Fe atoms for fine particles by about 10–15%, but the existence of cation exchanges is not clarified by considering the positional fluctuations of the Fe atoms at the B sites.