Superconductivity of graphenelike hydrogen in H2He at high pressure
PHYSICAL REVIEW B(2023)
摘要
The structural diversity of hydrogen under high pressure is crucial for understanding its physical properties, especially for the superconductivity. Here, a combination of crystal structure prediction and first-principle calculations has predicted a metastable H2He at ultrahigh pressure of 800 GPa, where H atoms are arranged in graphenelike structure. H2He shows weak superconductivity with critical temperature of 4 K, which significantly increases to 155 and 201 K at electron doping of 0.6 and 1.2 e, respectively. Analysis suggests that the enhanced superconductivity is closely associated with the graphenelike H sublattice. The doped electrons almost transfer to H sublattice, inducing the increased H-derived density of states at the Fermi level, as well as their coupling with the phonon modes of graphenelike H layers. The current results could stimulate the experiment to search for more diverse hydrogen species at high pressure and provide a feasible way to design high-Tc superconductors as well.
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