AI Article Synopsis
- Scientists predict a new strong type of RhB that works well as a superconductor under really high pressure (300 GPa).
- This new phase is better than what was thought before and is very stable, thanks to strong bonds between its atoms.
- It can resist being squished and superconductor properties are also examined, making it useful for tough conditions.
Article Abstract
A new hard superconducting phase of RhB with the space group is predicted, and the phase transition and mechanical and superconducting properties of RhB under 300 GPa are studied using first principles. We predict a new high-pressure phase of RhB by substituting the most stable structure of OsB, known for its excellent mechanical properties. The calculated enthalpy shows that above 112.6 GPa, is superior to as was previously predicted by particle swarm optimization. The stability of the predicted phase is checked using formation enthalpy, elastic constant and phonon dispersion. Additionally, the convex hull of the Rh-B system confirms that the phase is expected to be synthesized experimentally. The phase is an incompressible hard material with a hardness of 23.75 GPa at 300 GPa attributed to strong intralayer covalent B-B bonds. Furthermore, the phase is a relatively pressure-insensitive superconductor, with a of 8.6 K at 112.6 GPa and a pressure-dependent coefficient of -0.03 K GPa. The finding reveals a superconducting hard material that is well-suited for extreme high-pressure environments.
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| http://dx.doi.org/10.1039/d4cp02758b | DOI Listing |
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