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Thermodynamically stable room-temperature superconductors in Li-Na hydrides under high pressures

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arxiv 2303.09805 v1 pith:ZV6TDU4L submitted 2023-03-17 cond-mat.supr-con

Decheng An , Defang Duan , Zihan Zhang , Qiwen Jiang , Hao Song , Tian Cui This is my paper
classification cond-mat.supr-con
keywords room-temperaturesuperconductorsstablesuperconductivitythermodynamicallyfermihighhydrides
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Room-temperature superconductivity has been a long-standing goal for scientific progress and human development. Thermodynamic stability is a prerequisite for material synthesis and application. Here, we perform a combination of high-throughput screening and structural search and uncover two thermodynamically stable room-temperature superconductors, Fd-3m-Li2NaH17 and Pm-3n-LiNa3H23, exhibiting extraordinary critical temperature of 340 K at 300 GPa and 310 K at 350 GPa, respectively. Li2NaH17 possesses the highest Tc among all the thermodynamically stable ternary hydrides hitherto found. The dominated H density of states at the Fermi level and the strong Fermi surface nesting are favorable for the emergence of room-temperature superconductivity. Their excellent superconducting properties help us understand the mechanism of room-temperature superconductivity and find new room-temperature superconductors. Interestingly, the structures of LiNa3H23 and Li2NaH17 equal to the identified type-I and II clathrate geometry. Our results provide a structural reference and theoretical guidance for later experimental structure determination and theoretical search for high temperature superconductors.

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