A systematic study on the phase diagram and superconductivity of ternary clathrate Ca-Sc-H at high pressures

This work explores potential high-temperature superconductor materials in hydrogen-rich systems. Here, the crystal structure stabilities of ternary Ca-Sc-H systems under high-pressure ( P = 100-250 GPa) and their superconductivities are investigated using the particle swarm optimization methodology...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2024-01, Vol.26 (4), p.348-3414
Hauptverfasser:	Yuan, Wenjie, Yang, Xu, Li, Shichang, Feng, Chunbao, Chen, Bole, Chang, Ying, Li, Dengfeng
Format:	Artikel
Sprache:	eng
Schlagworte:	Clathrates Convexity Crystal structure First principles High pressure High temperature superconductors Hydrogen Particle swarm optimization Phase diagrams Pressure dependence Superconductivity
Online-Zugang:	Volltext
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