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.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 3317-3324 |
| Number of pages | 8 |
| Journal | Philosophical Magazine |
| Volume | 97 |
| Issue number | 35 |
| DOIs | |
| State | Published - Dec 12 2017 |
| Externally published | Yes |
Keywords
- Material discovery
- crystal growth
- crystal structure
- density functional theory
- physical properties
ASJC Scopus subject areas
- Condensed Matter Physics
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