当前位置: X-MOL 学术npj Comput. Mater. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Prediction of ambient pressure conventional superconductivity above 80 K in hydride compounds
npj Computational Materials ( IF 9.7 ) Pub Date : 2024-02-28 , DOI: 10.1038/s41524-024-01214-9
Antonio Sanna , Tiago F. T. Cerqueira , Yue-Wen Fang , Ion Errea , Alfred Ludwig , Miguel A. L. Marques

The primary challenge in the field of high-temperature superconductivity in hydrides is to achieve a superconducting state at ambient pressure rather than the extreme pressures that have been required in experiments so far. Here, we propose a family of compounds, of composition Mg2XH6 with X = Rh, Ir, Pd, or Pt, that achieves this goal. These materials were identified by scrutinizing more than a million compounds using a machine-learning accelerated high-throughput workflow. We predict that their superconducting transition temperatures are in the range of 45–80 K, or even above 100 K with appropriate electron doping of the Pt compound. These results indicate that, although very rare, high-temperature superconductivity in hydrides is achievable at room pressure.



中文翻译:

氢化物化合物中 80 K 以上环境压力常规超导性的预测

氢化物高温超导领域的主要挑战是在环境压力下实现超导状态,而不是迄今为止实验中所需的极端压力。在这里,我们提出了一系列化合物,其成分为 Mg 2 XH 6,其中 X = Rh、Ir、Pd 或 Pt,以实现这一目标。这些材料是通过使用机器学习加速的高通量工作流程仔细检查超过一百万种化合物来鉴定的。我们预测它们的超导转变温度在 45-80 K 范围内,如果对 Pt 化合物进行适当的电子掺杂,甚至会超过 100 K。这些结果表明,尽管非常罕见,氢化物的高温超导性在室温下是可以实现的。

更新日期:2024-02-29
down
wechat
bug