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Updated: Sep 25, 2025
Chemical Synthesis of Porous Barium Titanate Thin Film and Thermal Stabilization of Ferroelectric Phase by Porosity-Induced Strain
Published on: March 27, 2018
High pressure nanoarchitectonics and metallization of barium chloride and barium bromide
Shubo Wei1, Peiyu Zhang1, Hanyu Liu1
1International Center for Computational Methods and Software and State Key Laboratory for Superhard Materials, College of Physics, Jilin University, Changchun 130012, People's Republic of China.
Abstract:
As one of the most prototypicalAX2-type compounds, barium halide shared the cubic structure withFm-3msymmetry for BaCl2or orthorhombic structure withPnmasymmetry for BaBr2at ambient pressure. In this work, we explored the crystal structures of BaCl2and BaBr2under high pressure. We predicted a thermodynamically more favored structure with orthorhombicCmcmsymmetry for both BaCl2and BaBr2, at 74 and 47 GPa, respectively. Our simulations reveal that the metallic feature ofCmcmBaCl2andCmcmBaBr2under high pressure. The present results improve the understanding of high-pressure structures ofAX2compounds at extremely high-pressure conditions.
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