Abstract
We report x-ray diffraction and Raman scattering measurements in combination with density functional theory calculations that reveal the formation of beryllium polyhydride by the laser heating of a Be- mixture to above 1700 K at pressures between 5 and 8 GPa. crystallizes in a structure and consists of the corner-sharing tetrahedrons and the molecules that occupy an interstitial site. is stable at least to 14 GPa upon compression and stable down to 4 GPa at room temperature. Our ab initio calculations suggest that is a metastable phase of the Be-H system.
- Received 3 November 2019
- Accepted 18 November 2020
DOI:https://doi.org/10.1103/PhysRevMaterials.4.125402
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