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On Distribution of Superconductivity in Metal Hydrides
Current Opinion in Solid State & Materials Science ( IF 12.2 ) Pub Date : 2020-04-07 , DOI: 10.1016/j.cossms.2020.100808
Dmitrii V. Semenok , Ivan A. Kruglov , Igor A. Savkin , Alexander G. Kvashnin , Artem R. Oganov

Using the data on the superconducting critical temperature (TC) for a number of metal hydrides, we found a rule that makes it possible to predict the maximum TC based only on the information about the electronic structure of metal atoms. Using this guiding principle, we explored the hydride systems for which no reliable information existed, predicted new higher hydrides in the K-H, Zr-H, Hf-H, Ti-H, Mg-H, Sr-H, Ba-H, Cs-H, and Rb-H systems at high pressures, and calculated their TC. The highest-temperature superconducting hydrides are formed by metals in the “lability belt” roughly between 2nd and 3rd groups of the Periodic Table. Results of the study of actinoids and lanthanoids show that they form highly symmetric superhydrides XH7-XH9, but the increasing number of d- and especially f-electrons affects superconducitivity adversely. Hydrides of late transition metals (e.g. platinoids) and all but early lanthanoids and actinoids are not promising for high-Tc superconductivity. Designed neural network allowing the prediction of TC of various hydrides shows high accuracy and was used to estimate upper limit for TC of hydrides for which no date are avilable. The developed rule, based on regular behavior of the maximum achievable critical temperature as a function of number of d + f electrons, enables targeted predictions about the existence of new high-TC superconductors.



中文翻译:

金属氢化物中超导的分布

使用许多金属氢化物的超导临界温度(T C)数据,我们发现了一条规则,该规则使得仅根据有关金属原子电子结构的信息预测最大T C成为可能。根据这一指导原则,我们探索了没有可靠信息的氢化物系统,并预测了KH,Zr-H,Hf-H,Ti-H,Mg-H,Sr-H,Ba-H,Cs中新的高级氢化物-H和Rb-H系统在高压下,并计算其T C。最高温度的超导氢化物是由“不稳定性带”中的金属形成的,大致在元素周期表的第二组和第三组之间。in系元素和镧系元素的研究结果表明,它们形成高度对称的超氢化物XH 7 -XH 9,但是d电子(尤其是f电子)数量的增加会对超导性产生不利影响。较晚的过渡金属(如铂类)以及除早期镧系元素和but系元素以外的所有化合物的氢化物均无希望实现高Tc超导性。设计的神经网络可预测各种氢化物的T C值,显示出很高的准确性,可用于估算T C的上限没有日期的氢化物。基于最大可达到的临界温度随d  +  f电子数量变化的规律行为而制定的规则,可以有针对性地预测新的高T C超导体的存在。

更新日期:2020-04-07
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