Skolkovo Institute of Science and Technology , Skolkovo Innovation Center , 3 Nobel Street , Moscow 143026 , Russia.
Moscow Institute of Physics and Technology , 9 Institutskiy Lane , Dolgoprudny 141700 , Russia.
ACS Appl Mater Interfaces. 2018 Dec 19;10(50):43809-43816. doi: 10.1021/acsami.8b17100. Epub 2018 Dec 4.
New stable phase thorium decahydride Fm3̅ m-ThH, a high-temperature superconductor with T up to 241 K (-32 °C), critical field H up to 71 T, and superconducting gap Δ of 52 meV at 80-100 GPa, is predicted by evolutionary algorithm USPEX. Another phase, P2/ c-ThH, is found to be a superconductor with T of 62 K. Analysis of the superconducting state was performed within Eliashberg formalism, and H( T), Δ( T), and T( P) functions with a jump in the specific heat at critical temperature were calculated. Several other new thorium hydrides were predicted to be stable under pressure, including ThH, ThH, ThH, and ThH. Thorium (which has s d electronic configuration) forms high- T polyhydrides similar to those formed by s d metals (Y-La-Ac). Thorium belongs to the Mg-Ca-Sc-Y-La-Ac family of elements forming high- T superconducting hydrides.
通过进化算法 USPEX 预测到新的稳定相 Fm3̅ m-ThH 十氢化钍，这是一种高温超导体，在 80-100 GPa 下其超导转变温度 T 高达 241 K（-32 °C），临界磁场 H 高达 71 T，超导能隙 Δ 为 52 meV。还发现另一个 P2/ c-ThH 相是超导相，超导转变温度 T 为 62 K。在 Eliashberg 形式理论的框架内对超导态进行了分析，并计算了具有临界温度下比热突跃的 H( T)、Δ( T)和 T( P)函数。还预测了其他几种在压力下稳定的新的钍氢化物，包括 ThH、ThH、ThH 和 ThH。钍（具有 s d 电子构型）形成类似于 s d 金属（Y-La-Ac）形成的高 T 多氢化物。钍属于形成高温超导氢化物的 Mg-Ca-Sc-Y-La-Ac 族元素。
