相关论文: Prediction of high-Tc superconductivity in ternary…
Lanthanum (La) is the first member of the rare-earth series of elements that has recently raised considerable interest because of its unique high-Tc superhydride LaH10. Although several studies have found superconductivity and phase…
The search for room temperature superconductivity has accelerated dramatically in the last few years driven largely by theoretical predictions that first indicated alloying dense hydrogen with other elements could produce conventional…
The compressed hydrogen-rich compounds have received extensive attention as promising candidates for room temperature superconductivity, however, the high pressure required to stabilize such materials hinders their wide practical…
The search for high-temperature superconductors in hydrides under high pressure has always been a research hotspot. Hydrogen-based superconductors offer an avenue to achieve the long-sought goal of superconductivity at room temperature. We…
The discovery of superconductivity at 200 K in the hydrogen sulfide system at large pressures [1] was a clear demonstration that hydrogen-rich materials can be high-temperature superconductors. The recent synthesis of LaH$_{10}$ with a…
High-pressure structural search was performed on the hydrogen-rich compound LuBeH$_8$ at pressures up to 200 GPa. We found a $Fm\overline{3}m$ structure that exhibits stability and superconductivity above 100 GPa. Our phonon dispersion,…
We designed and investigated a series of ternary hydride compounds MXH$_{12}$ crystallizing in the cubic $Pm\overline{3}m$ structure as potential rare-earth and alkaline-earth superconductors. First-principles calculations were performed on…
High-pressure polyhydrides are leading contenders for room temperature superconductivity. The next frontier lies in stabilizing them at ambient pressure, which would allow their practical applications. In this first-principles computational…
The abundant chemical compositions in ternary hydrides bring much more possibility to explore high temperature superconductors under lower pressure. Here we constructed 115 ternary hydrides on the basis of the elements substitution using 16…
Using the data on the superconducting critical temperature ($T_{C}$) for a number of metal hydrides, we found a rule that makes it possible to predict the maximum $T_{C}$ based only on the information about the electronic structure of metal…
Barium hydrides are of interest for their potential in both ionic conductivity and superconductivity. Recently, a superconducting hydride BaH$_{12}$ containing H$_2$ and H${_3}^{-1}$ molecular units was experimentally reported with a…
High-pressure structural searches of superhydrides CeBeH$_8$ and CeBH$_8$ were performed under ambient pressure up to 300 GPa. We identify $Fm\overline{3}m$-CeBeH$_8$ with a superconducting transition temperature $T_{c}$ of 56 K at 10 GPa.…
The discovery of clathrate superhydrides has approached the long-standing dream of room-temperature superconductivity and thus inspired their prosperous research under high pressure. However, how to experimentally optimize these compelling…
The measurement of superconductivity at above 200K in compressed samples of hydrogen sulfide and lanthanum hydride at 250K is reinvigorating the search for conventional high temperature superconductors. At the same time it exposes a…
Recent theoretical and experimental studies of hydrogen-rich materials at megabar pressures (i.e., >100 GPa) have led to the discovery of very high-temperature superconductivity in these materials. Lanthanum superhydride LaH$_{10}$ has been…
Lanthanum-hydrogen system and its derivatives remain among the most promising for achieving room-temperature superconductivity. In this study, we examined the formation of ternary lanthanum-scandium superhydrides at pressures up to 220 GPa.…
Room-temperature superconductivity has been one of the most challenging subjects in modern physics. Recent experiments reported that lanthanum hydride LaH$_{10{\pm}x}$ ($x$$<$1) raises a superconducting transition temperature $T_{\rm c}$ up…
In this work, global search for crystal structures of ternary Mg-Sc-H hydrides (Mg$_x$Sc$_y$H$_z$) under high pressure ($100 \le P \le 200$ GPa) were performed using the evolutionary algorithm and first-principles calculations. Based on…
Under the weak coupling, we investigate the critical temperatures under pressure of H3S, LaH10, CaH6, and Tl2Ba2CaCu2O8+{\delta} superconductors. The superconducting mechanism takes into account the electron-phonon interaction as well as…
The recent report of near-ambient superconductivity in nitrogen-doped lutetium hydrides (Lu-N-H) has generated a great interest. However, conflicting results have raised doubts regarding superconductivity. Here, we combine high-throughput…