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Evolution of metallization and superconductivity in solid hydrogen
Physics Letters A ( IF 2.278 ) Pub Date : 2020-05-19 , DOI: 10.1016/j.physleta.2020.126571
Quan Zhuang; Xilian Jin; Tian Cui; Die Zhang; Ying Li; Hongyu Yu; Kuo Bao; Bingbing Liu

Inspired by the recent experimental reports of metallic hydrogen [Science 355 (2017) 715, Nature, 577 (2020) 631], we have reexamined the metallization and superconductivity of solid hydrogen in the pressure range of interest. Based on high quality calculations with zero-point vibrations and van der Waals (vdW) corrections, hydrogen is disclosed to metallize at about 485 GPa via the phase transition from insulate molecular C2/c-24 to metallic molecular Cmca-4, then dissociate into atomic phase with increasing pressure to 600 GPa. Further analyses demonstrate that vdW interaction can reduce the H-H distances in the metallic molecular Cmca-4, thus pulling down the contributions from phonon frequencies and electronic structures to electron-phonon coupling λ, and resulting in the declining superconducting Tc. Meanwhile, slightly influence on these cases can be found in metallic atomic I41/amd by vdW correction. Our results indicate that aspirational room-temperature superconductivity in solid hydrogen requires a high pressure beyond 600 GPa.
更新日期:2020-05-19

 

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