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

• Published in: Journal of alloys and compounds 2018-09, Vol.762, p.797-805
• Main Authors: Hosokawa, Shinya, Maruyama, Kenji, Kobayashi, Kentaro, Stellhorn, Jens Rüdiger, Paulus, Benedict, Koura, Akihide, Shimojo, Fuyuki, Tsumuraya, Takao, Yamasaki, Michiaki, Kawamura, Yoshihito, Yoshioka, Satoru, Sato, Hitoshi
• Format: Article
• Language: English
• Subjects: Alloys; Chemical statesss; Clusters; Conduction bands; Density functional theory; Density of states; Electronic density of states; Heterogeneity; Impurities; Magnesium base alloys; Organic chemistry; Oxidation; Photoelectric emission; Polycrystals; Stacking; Structural metallic alloy; Trace elements; Yttrium; Zinc
• ISSN: 0925-8388; 1873-4669
• DOI: 10.1016/j.jallcom.2018.05.163

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. [Display omitted] •Impurity effects in electronic properties on Mg-Zn-Y LPSO by photoemission spectroscopy.•A bimodal feature L12 clusters of impurities and host Mg are found.•Three different chemical natures are realized.