Electronic structures and impurity cluster features in Mg-Zn-Y alloys with a synchronized long-period stacking ordered phase

Shinya Hosokawa, Kenji Maruyama, Kentaro Kobayashi, Jens Rüdiger Stellhorn, Benedict Paulus, Akihide Koura, Fuyuki Shimojo, Takao Tsumuraya, Michiaki Yamasaki, Yoshihito Kawamura, Satoru Yoshioka, Hitoshi Sato

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Abstract

Photoemission and inverse-photoemission spectroscopy (PES and IPES) measurements were carried out on polycrystalline Mg97Zn1Y2, Mg85Zn6Y9, and Mg75Zn10Y15 alloys with a synchronized long-period stacking ordered phase together with non-doped Mg to investigate the valence- and conduction-band electronic structures, respectively. It was found from the valence-band PES spectra that the non-doped Mg includes at most 25% of an intrinsic oxidation portion. With increasing impurity concentration, the valence-band density of states (DOS) very slightly changes, while the conduction-band DOS drastically varies. The contributions of the impurity elements are clarified using a density functional theory calculation for the Mg85Zn6Y9 alloy. The core-level PES measurements were also performed at the Mg 2s, 2p, Zn 3p, 3d, and Y 3d levels to study the chemical natures of the corresponding elements. The Y 3d core spectrum exhibits mostly three doublets in Mg97Zn1Y2, while mostly only one in the heavily doped alloys, reflecting a coexistence of three different sites of the Y atoms; ones in the Zn6Y8 L12 clusters, ones in their fragments, and isolated ones in Mg97Zn1Y2.

Original languageEnglish
Pages (from-to)797-805
Number of pages9
JournalJournal of Alloys and Compounds
Volume762
DOIs
Publication statusPublished - Sep 25 2018

All Science Journal Classification (ASJC) codes

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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    Hosokawa, S., Maruyama, K., Kobayashi, K., Stellhorn, J. R., Paulus, B., Koura, A., Shimojo, F., Tsumuraya, T., Yamasaki, M., Kawamura, Y., Yoshioka, S., & Sato, H. (2018). Electronic structures and impurity cluster features in Mg-Zn-Y alloys with a synchronized long-period stacking ordered phase. Journal of Alloys and Compounds, 762, 797-805. https://doi.org/10.1016/j.jallcom.2018.05.163