新型超导材料的计算设计及其定向实验合成
Computational design of new superconducting materials and their targeted experimental synthesis
AI总结：
该研究回顾了2015-2021年超导氢化物进展，提出理论-实验算法分析超导性质，并展示了计算预测与实验合成相结合的有效性。
AI中文摘要：
在过去的六年（2015-2021）中，发现了许多临界温度高达253 K的超导氢化物，这是当今的纪录。现在，一个关于超高压下氢化物超导电性的特殊领域已经发展起来。在很大程度上，超氢化物的性质由强电子-声子相互作用的Migdal-Eliashberg理论很好地描述，特别是当考虑声子的非谐性时。同位素效应、磁场（高达60-70 T）对氢化物样品中临界温度和临界电流的影响、临界温度对压力和掺杂程度的依赖性——所有数据都表明多氢化物是常规超导体，其理论由Bardeen、Cooper和Schrieffer于1957年创建。\n 本工作对2015-2021年的数据进行了回顾性分析，并描述了氢化物超导电性领域未来研究的主要方向。论文由六章组成，致力于研究二元和三元超氢化物（钍（ThH$_9$和ThH$_{10}$）、钇（YH$_6$和YH$_9$）、铕和其他镧系元素（Ce、Pr、Nd）以及镧-钇（La-Y））的结构和超导电性。本工作描述了立方十氢化物、六氢化物和六方金属九氢化物的物理性质，展示了进化算法和密度泛函方法在预测高压高温条件下多氢化物形成方面的高效率。我们提出了一种分析氢化物超导性质的理论-实验算法，使得能够系统化积累的实验数据。总的来说，这项研究是现代方法在高压下研究物质凝聚态的有效性和协同性的一个鲜明例子。
英文摘要：
In the last six years (2015-2021), many superconducting hydrides with critical temperatures $\textit{T}$$_C$ of up to 253 K, a record for today, have been discovered. Now, a special field of hydride superconductivity at ultrahigh pressures has developed. For the most part, the properties of superhydrides are well described by the Migdal-Eliashberg theory of strong electron-phonon interaction, especially when anharmonicity of phonons is taken into account. The isotope effect, the effect of the magnetic field (up to 60-70 T) on the critical temperature and critical current in the hydride samples, the dependence of $\textit{T}$$_C$ on the pressure and degree of doping - all data indicate that polyhydrides are conventional superconductors, the theory of which was created by Bardeen, Cooper, and Schrieffer in 1957. This work presents a retrospective analysis of data for 2015-2021 and describes the main directions for future research in the field of hydride superconductivity. The thesis consists of six chapters devoted to the study of the structure and superconductivity of binary and ternary superhydrides of thorium (ThH$_9$ and ThH$_{10}$), yttrium (YH$_6$ and YH$_9$), europium and other lanthanides (Ce, Pr, Nd), and lanthanum-yttrium (La-Y). This work describes the physical properties of cubic decahydrides, hexahydrides, and hexagonal metal nonahydrides, demonstrates high efficiency of evolutionary algorithms and density functional methods in predicting the formation of polyhydrides under high-pressure and high-temperature conditions. We proposed a theoretical-experimental algorithm for analyzing the superconducting properties of hydrides, which makes it possible to systematize the accumulated experimental data. In general, this research is a vivid example of the effectiveness and synergy of modern methods for studying the condensed state of matter under high pressures.
