Synthesis and Crystal Structure of the Zintl Phases NaSrSb, NaBaSb and NaEuSb
Author(s) | Wang, Yi | |
Author(s) | Bobev, Svilen | |
Date Accessioned | 2023-05-16T17:35:20Z | |
Date Available | 2023-05-16T17:35:20Z | |
Publication Date | 2023-02-08 | |
Description | This article was originally published in Materials. The version of record is available at: https://doi.org/10.3390/ma16041428 | |
Abstract | This work details the synthesis and the crystal structures of the ternary compounds NaSrSb, NaBaSb and NaEuSb. They are isostructural and adopt the hexagonal ZrNiAl-type structure (space group P6¯2m; Pearson code hP9). The structure determination in all three cases was performed using single-crystal X-ray diffraction methods. The structure features isolated Sb3– anions arranged in layers stacked along the crystallographic c-axis. In the interstices, alkali and alkaline-earth metal cations are found in tetrahedral and square pyramidal coordination environments, respectively. The formal partitioning of the valence electrons adheres to the valence rules, i.e., Na+Sr2+Sb3–, Na+Ba2+Sb3– and Na+Eu2+Sb3– can be considered as Zintl phases with intrinsic semiconductor behavior. Electronic band structure calculations conducted for NaBaSb are consistent with this notion and show a direct gap of approx. 0.9 eV. Additionally, the calculations hint at possible inverted Dirac cones, a feature that is reminiscent of topological quantum materials. | |
Sponsor | This research was funded by the US Department of Energy through the grant DE-SC0008885. | |
Citation | Wang, Yi, and Svilen Bobev. 2023. "Synthesis and Crystal Structure of the Zintl Phases NaSrSb, NaBaSb and NaEuSb" Materials 16, no. 4: 1428. https://doi.org/10.3390/ma16041428 | |
ISSN | 1996-1944 | |
URL | https://udspace.udel.edu/handle/19716/32752 | |
Language | en_US | |
Publisher | Materials | |
Keywords | antimonides | |
Keywords | crystal structure | |
Keywords | thermoelectrics | |
Keywords | topological insulator | |
Keywords | Zintl phases | |
Title | Synthesis and Crystal Structure of the Zintl Phases NaSrSb, NaBaSb and NaEuSb | |
Type | Article |
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