Durajski Artur P, Szczęśniak Radosław
Institute of Physics, Czestochowa University of Technology, Ave. Armii Krajowej 19, 42-200 Czestochowa, Poland.
Phys Chem Chem Phys. 2021 Nov 17;23(44):25070-25074. doi: 10.1039/d1cp03896f.
Motivated by the recent experimental discovery of high-temperature carbonaceous sulfur hydride (C-S-H), we have systematically explored the superconductivity of a carbonaceous lanthanum hydride (C-La-H) ternary compound in the pressure range of 50-250 GPa. Based on first-principles calculations and strong-coupling Migdal-Eliashberg theory, we find that a hitherto unreported LaCH ternary system is dynamically and thermally stable above 70 GPa in a clathrate structure with space group 3̄ and exhibits a superconducting critical temperature, , in the range of 69-140 K.
受近期高温碳质硫化氢(C-S-H)实验发现的启发,我们系统地研究了碳质氢化镧(C-La-H)三元化合物在50-250 GPa压力范围内的超导性。基于第一性原理计算和强耦合Migdal-Eliashberg理论,我们发现一个迄今未报道的LaCH三元体系在70 GPa以上具有动态和热稳定性,其笼形结构的空间群为3̄,超导临界温度在69-140 K范围内。