TY  - JOUR
AU  - Dong, Weiwei
AU  - Xu, Wei
AU  - Guo, Zhiying
AU  - Liu, Weishu
AU  - Pan, Yu
AU  - Kulkarni, Satishkumar
AU  - Li, Xiaodong
AU  - Glazyrin, Konstantin
PY  - 2024
TI  - Assessing structure of Mg3Bi2−xSbx (0 ≤ x ≤ 2) at pressures below 40 GPa
JO  - Journal of Materiomics
SN  - 2352-8478
SP  - 837
EP  - 844
VL  - 10
IS  - 4
AB  - Mg3Bi2-xSbx (0 ≤ x ≤ 2) have gained significant attention due to their potential in thermoelectric (TE) applications. However, there has been much debating regarding their structural properties and phase diagram as a function of pressure, which is crucial for understanding of their TE properties. Here, we investigate a unified phase diagram of Mg3(Bi,Sb)2 materials up to 40 GPa at room temperature using high-pressure X-ray diffraction. Two high-pressure phases with the structural transition succession of P3m1→ C2/m → P21/n are observed, which is valid for all Mg3Bi2-xSbx  (0 ≤ x ≤ 2) compounds. We further explore the low-pressure phase P3m1 and report that alloying does not change the quasi-isotropic compression of the unit lattice parameters nor has effect on the anisotropic bond compressibility, as recently reported for the end-members. Our study presents a comprehensive picture of Mg3Bi2-xSbx  as a function of pressure and chemical composition providing a solid foundation for the future experimental and theoretical studies searching for the most efficient TE compound in Mg3(Bi,Sb)2.
UR  - https://doi.org/10.1016/j.jmat.2023.10.004
DO  - 10.1016/j.jmat.2023.10.004