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Updated: Apr 22, 2026

Chemical Synthesis of Porous Barium Titanate Thin Film and Thermal Stabilization of Ferroelectric Phase by Porosity-Induced Strain
Published on: March 27, 2018
Pressure-induced structural phase transition and thermoelectric properties of bulk Mg3Bi2
Han Zhang1,2, Tao Feng3, Xiaolong Gan1,2
1Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, People's Republic of China. zyguo@ihep.ac.cn.
Abstract:
The thermoelectric materials Mg3Bi2 and related compounds exhibit a high figure of merit (zT) combined with attractive properties for commercialization, such as low cost, elemental abundance, non-toxicity, and good processability. These advantages make them highly promising candidates for developing high-performance flexible thermoelectric devices. While previous research has primarily focused on improving thermoelectric properties through chemical doping, the effects of pressure on the crystal structure and corresponding thermoelectric properties have not been fully investigated. In this study, we combined first-principles calculations, crystal structure prediction, and X-ray absorption near-edge structure (XANES) measurements to probe the behaviour of this material under extreme conditions. Our investigation revealed a low-lying P21/m structure at 5 GPa, competitive in energy with the known C2/m phase, and two novel high-pressure phases: a Pnnm structure at 30 GPa and a P21/c structure above 80 GPa. To understand the pressure-induced structural evolution, we systematically evaluated the energy stability, dynamical stability, and thermoelectric properties of each phase.
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