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Ambient Stabilization of Metastable Face-Centered Cubic Lanthanide Trihydrides
Keyu Shi1, Yingjian Li2, Pinwen Zhu1
1Synergetic Extreme Condition High-Pressure Science Center and State Key Laboratory of High Pressure and Superhard Materials, College of Physics, Jilin University, Changchun 130012, China.
Researchers developed a high-pressure, high-temperature method to stabilize hydrogen-rich lanthanide trihydrides (LnH3) at ambient conditions. This breakthrough expands the potential applications of these materials beyond superconductivity.
Area of Science:
- Materials Science
- Solid State Chemistry
- High-Pressure Physics
Background:
- Hydrogen-rich materials synthesized under extreme conditions often lack ambient stability.
- Metastable phases are crucial for unlocking novel material properties but are challenging to preserve.
Purpose of the Study:
- To develop a general strategy for stabilizing metastable face-centered cubic (fcc) lanthanide trihydrides (LnH3) at ambient conditions.
- To investigate the structural, electronic, and magnetic properties of these stabilized hydrides.
Main Methods:
- Employed a high-pressure-high-temperature (HPHT) synthesis strategy using a large volume press (LVP).
- Utilized controlled hydrogenation of LnH2 precursors with ammonia borane.
- Performed structural characterization and first-principles calculations.
Main Results:
- Successfully synthesized and stabilized seven fcc-LnH3 compounds at ambient conditions.
- Established systematic trends in lattice parameters and hydrogen-induced volume expansion.
- Calculations showed fcc phases are dynamically stabilized by anharmonic vibrations, despite being thermodynamically metastable.
Conclusions:
- The HPHT method provides a general route to ambiently stable, metastable LnH3 phases.
- These materials exhibit wide-bandgap semiconductor and paramagnetic properties, distinct from superconducting clathrate superhydrides.
- This work expands the functional landscape of hydrogen-rich materials beyond superconductivity.
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