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Growth and characterization of BaZnGa

TitleGrowth and characterization of BaZnGa
Publication TypeJournal Article
Year of Publication2017
AuthorsJo, NH, Lin, QS, Nguyen, MC, Kaluarachchi, US, Meier, WR, Manni, S, Downing, SS, Bohmer, AE, Kong, T, Sun, Y, Taufour, V, Wang, CZ, Ho, KM, Bud'ko, SL, Canfield, PC
JournalPhilosophical Magazine
Volume97
Pagination3317-3324
Date Published10
Type of ArticleArticle
ISBN Number1478-6435
Accession NumberWOS:000418938700001
Keywordsaugmented-wave method, Crystal growth, Crystal structure, crystals, density, functional theory, Material discovery, Materials Science, Metallurgical Engineering, physical properties, physics
Abstract

We report the growth, structure and characterization of BaZnGa, identifying it as the sole known ternary compound in the Ba-Zn-Ga system. Single crystals of BaZnGa can be grown out of excess Ba-Zn and adopt a tI36 structure type. There are three unique Ba sites and three M=Zn/Ga sites. Using DFT calculations we can argue that whereas one of these three M sites is probably solely occupied by Ga, the other two M sites, most likely, have mixed Zn/Ga occupancy. Temperature-dependent resistivity and magnetization measurements suggest that BaZnGa is a poor metal with no electronic or magnetic phase transitions between 1.8 and 300 K.

DOI10.1080/14786435.2017.1380861
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Complex States

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Exploratory Theory