关于中国学者预测203K超导体被实验证实的补充说明

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知社学术圈昨日发布的中国学者预测203K超导体被实验证实的消息，引起热议。针对热心读者评论，我们现补充说明如下：

• 在吉林大学崔田教授 Scientific Reports 文章和德国马普所预印本和Nature文章之前，吉林大学马琰铭教授与江苏师范大学以及加拿大 University Saskatchewan 合作者在The Journal of Chemical Physics发表题为 “The metallization and superconductivity of dense hydrogen sulfide” 的论文，预测 H2S 在160GPa下临界转变温度为 80K。

• 知社昨日文章并未提及德国马普所实验工作受谁启发而起，亦未提及谁首先从事相关计算，仅在开始提及崔田教授(H2S)2H2 临界转变温度191K-204K的理论预测, 因为这一预测与实验吻合，被实验证实，而且 H3S是马普所所认为的203K物相。但这一描述似乎在一定程度造成误解。所有关于原始贡献的推测，均非知社本意。如造成误解，愿在此对马教授、崔教授及其团队与合作者、以及广大读者致歉。

• 德国马普所 Nature 文章 对马教授【文献10】文章有大篇幅引用，摘录如下：

Here we investigate sulfur hydride, where a T_c of 80 kelvin has been predicted.

Ashcroft’s general idea was supported in numerous calculations^, predicting high values of T_c for many hydrides.

For the present study we selected H₂S, because it is relatively easy to handle and is predicted to transform to a metal and a superconductor at a low pressure P ≈ 100 GPa with a high T_c ≈ 80 K (ref. ).

Black stars are calculations from ref. .

The superconductivity measured in the low-temperature runs () possibly relates to H₂S, as it is generally consistent with calculations for H₂S: both the value of T_c ≈ 80 K and its pressure behaviour.

In fact, calculations indirectly support this hypothesis, as the dissociation H₂S H₂ + S was shown to be energetically very unfavourable.

• 德国马普所 Nature 文章 对崔教授【文献20】文章亦有大篇幅引用：

We found further theoretical support in ref. . In that work, the van der Waals compound (H₂S)₂H₂ was considered, and it was shown that at pressures above 180 GPa it forms an Im-3m structure with H₃S stoichiometry. The predicted T_c ≈ 190 K and its pressure dependences are close to our experimental values (). Our hypothesis of the transformation of H₂S to higher hydrides (in the H₃S stoichiometry each S atom is surrounded by 6 hydrogen atoms) is strongly supported by further calculations^, . All the numerous works based on the Im-3m structure^{, , , ,} are consistent in their prediction of T_c >~200 K, which decreases with pressure. The hydrogen sublattice gives the main contribution to superconductivity^{, ,} .

The highest Tc of 203 K that we report here has been achieved most probably in H3S having the Im-3m structure. It is a good metal; interestingly, there is also strong covalent bonding between H and S atoms in this compound.

• 基于这些描述和讨论，该研究的来龙去脉相当清楚，各自贡献没有疑议。此外，203K超导的物相当前并不完全清楚。马普所团队认为其并非H2S，而是H3S：

the particular compound responsible for the high T_c is not obvious. The superconductivity measured in the low-temperature runs () possibly relates to H₂S, as it is generally consistent with calculations for H₂S: both the value of T_c ≈ 80 K and its pressure behaviour. However superconductivity with T_c ≈ 200 K does not follow from these calculations. We suppose that it relates to the decomposition of H₂S, as high temperatures are required to reach the high T_c

We found further theoretical support in ref. . In that work, the van der Waals compound (H₂S)₂H₂ was considered, and it was shown that at pressures above 180 GPa it forms an Im-3m structure with H₃S stoichiometry. The predicted T_c ≈ 190 K and its pressure dependences are close to our experimental values.

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