Related papers: La-$X$-H hydrides: is hot superconductivity possib…
Hydrides have long been considered promising candidates for achieving room-temperature superconductivity; however, the extremely high pressures typically required for high critical temperatures remain a major challenge in experiment. Here,…
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,…
The 1111-type iron-based superconductor LnFeAsO1-xFx (Ln stands for lanthanide) is the first material with a Tc above 50 K, other than cuprate superconductors. Electron doping into LaFeAsO by H, rather than F, revealed a double-dome-shaped…
For seven decades by A-15 superconductors we meant metallic $A_3B$ alloys (where A is a transition metal, and B is groups IIIB and IVB element) discovered by Hardy and Hulm (Phys. Rev. 89, 884 (1953)). Nb3Ge exhibited the highest…
Multi-hydrogen lanthanum hydrides have shown the highest critical temperature $T_c$ at 250-260 K under 170-200 GPa. However, such high pressure is a great challenge for sample preparation and practical application. To address this…
Homoepitaxial diamond layers doped with boron in the 10^20-10^21 /cm3 range are shown to be type II superconductors with sharp transitions (~0.2K) at temperatures increasing from 0 to 2.1 K with boron contents. The critical concentration…
Lanthanum hydride LaH$_{10}$ with a sodalitelike clathrate structure was experimentally realized to exhibit a room-temperature superconductivity under megabar pressures. Based on first-principles calculations, we reveal that the metal…
Over the past six years, superconductivity at high temperatures has been reported in a variety of hydrogen-rich compounds under high pressure. That high-temperature superconductivity should exist in these materials is expected according to…
Motivated by advances in hydrogen-rich superconductors in the past decades, we conducted variable-composition structural searches in Mo-H binary system at high pressure. A new composition-pressure phase diagram of thermodynamically stable…
Lanthanum hydride has attracted significant attention in recent years due to its signatures of superconductivity at around 250 K (1, 2). However, the megabar pressures required for synthesize and maintain its state present extraordinary…
Superhydrides have complex hydrogenic sublattices and are important prototypes for studying metallic hydrogen and high-temperature superconductors. Encouraged by the results on LaH10, in consideration of the differences between La and Pr,…
Diamond has always been adored as a jewel. Even more fascinating is its outstanding physical properties; it is the hardest material known in the world with the highest thermal conductivity. Meanwhile, when we turn to its electrical…
Observation of high-temperature superconductivity in sulfur hydrides at megabar pressures has generated an irresistible wave on searching for new superconductors in other compressed hydrogen-rich compounds. An immediate effort is towards…
Delithiation of the known layered LiBC compound was predicted to induce conventional superconductivity at liquid nitrogen temperatures but extensive experimental work over the past two decades has detected no signs of the expected…
We survey the landscape of binary hydrides across the entire periodic table from 10 to 500 GPa using a crystal structure prediction method. Building a critical temperature ($T_c$) model, with inputs arising from density of states…
The low-pressure stabilization of superconducting hydrides with high critical temperatures ($T_c$s) remains a significant challenge, and experimentally verified superconducting hydrides are generally constrained to a limited number of…
Hydrogen-rich superhydrides are believed to be very promising high-Tc superconductors as they are expected to mimic characteristics of metallic hydrogen. Recent experiments discovered superhydrides at very high pressures, e.g. FeH5 at 130…
Superionic states are phases of matters that can simultaneously exhibit some of the properties of a fluid and of a solid. Superionic states of ice, H$_{3}$O, He-H$_{2}$O or He-NH$_{3}$ compounds have been reported in previous works.…
Evolutionary structure searches revealed a plethora of stable and low-enthalpy metastable phases in the S-P-H ternary phase diagram under pressure. A wide variety of crystalline structure types were uncovered ranging from those possessing…
We identify a new family of boron-rich compounds consisting of interconnected B$_{12}$ icosahedra, and electropositive guest atoms ($X$) in interstitial sites. These structures were found through first-principles crystal structure…