Actinium Hydrides AcH10, AcH12, and AcH16 as High-Temperature Conventional Superconductors,The Journal of Physical Chemistry Letters

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Actinium Hydrides AcH10, AcH12, and AcH16 as High-Temperature Conventional Superconductors
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2018-03-28 00:00:00 , DOI: 10.1021/acs.jpclett.8b00615
Dmitrii V. Semenok _{1,

2} , Alexander G. Kvashnin _{1,

2} , Ivan A. Kruglov _{2,

3} , Artem R. Oganov _{1,

2,

3,

4}

Affiliation

The stability of numerous unexpected actinium hydrides was predicted via the evolutionary algorithm USPEX. The electron–phonon interaction was investigated for the hydrogen-richest and most symmetric phases: R3̅m-AcH₁₀, I4/mmm-AcH₁₂, and P6̅m2-AcH₁₆. Predicted structures of actinium hydrides are consistent with all previously studied Ac–H phases and demonstrate phonon-mediated high-temperature superconductivity with T_C in the range of 204–251 K for R3̅m-AcH₁₀ at 200 GPa and 199–241 K for P6̅m2-AcH₁₆ at 150 GPa, which was estimated by directly solving the Eliashberg equation. Actinium belongs to the series of d¹ elements (Sc–Y–La–Ac) that form high-T_C superconducting (HTSC) hydrides. Combining this observation with previous predictions of p⁰-HTSC hydrides (MgH₆ and CaH₆), we propose that p⁰ and d¹ metals with low-lying empty orbitals tend to form phonon-mediated HTSC metal polyhydrides.

中文翻译：

Hy系氢化物AcH ₁₀，AcH ₁₂和AcH ₁₆作为高温常规超导体

通过进化算法USPEX预测了许多意外的氢化act的稳定性。的电子-声子的相互作用进行了调查为氢最丰富和最对称的阶段：- [R 3米-ach ₁₀，我4 / MMM -ach ₁₂，和P 6米2-ACH ₁₆。锕氢化物的预测的结构与所有先前研究AC-H相一致，表明声子-介导的与高温超导Ť _Ç在204-251 K的范围为[R 3米-ach ₁₀在200 GPA和199-241ķ为了P 6米2-ACH ₁₆在为150GPa，其通过直接求解艾利夏伯格公式估算。in系元素属于形成高T _C超导（HTSC）氢化物的d ¹元素系列（Sc-Y-La-Ac）。将该观察结果与先前对p ⁰ -HTSC氢化物（MgH ₆和CaH ₆）的预测相结合，我们提出具有低位空轨道的p ⁰和d ¹金属倾向于形成声子介导的HTSC金属多氢化物。

更新日期：2018-03-28

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