相关论文: Superconductivity at 253 K in lanthanum-yttrium te…

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…

The era of near-room-temperature superconductivity started after experimental discovery by Drozdov et al (2015 Nature 525 73) who found that compressed H3S exhibits superconducting transition at Tc = 203 K. To date, the record…

The discovery of high-temperature superconductivity in compressed H3S by Drozdov and co-workers (A. Drozdov, et. al., Nature 525, 73 (2015)) heralded a new era in superconductivity. To date, the record transition temperature of Tc = 260 K…

Exploring high-temperature superconducting (high-$T_c$) material at ambient pressure holds immense significance for physics, chemistry, and materials science. In this study, we perform a high-throughput screening of strong electron-phonon…

The discovery of nearly room-temperature superconductivity in superhydrides has motivated further materials research for conventional superconductors. To realize the moderately high critical temperature $(T_\mathrm{c})$ in materials…

Hydrogen and hydrides materials have long been considered promising materials for high-temperature superconductivity. But the extreme pressures required for the metallization of hydrogen-based superconductors limit their applications. Here,…

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…

Layered transition-metal tellurides have attracted considerable attention because of their rich physics; for example, tungsten ditelluride WTe2 exhibits extremely large magnetoresistance; the tritelluride ZrTe3 shows a charge density wave…

The intermetallic compound, YRhAl, has been prepared and is found to be isomorphic with RRhAl (R=Pr, Nd, Gd, Ho and Tm) compounds crystallizing in the orthorhombic TiNiSi-type structure (Space group Pnma). Heat capacity and electrical…

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…

While most of the rare earth metals readily form trihydrides, due to increased stability of the filled 4f electronic shell for Yb(II), only YbH$_{2.67}$, formally corresponding to Yb$^{\rm II}$(Yb$^{\rm III}$H$_4$)$_2$ or Yb$_3$H$_8$,…

We used our developed AI search engine~(InvDesFlow) to perform extensive investigations regarding ambient stable superconducting hydrides. A cubic structure Li$_2$AuH$_6$ with Au-H octahedral motifs is identified to be a candidate. After…

High pressure structures, phase diagram and superconductivity of polonium hydrides have been systematically investigated through the first-principles calculations based on the density functional theory. With the increasing pressure, several…

The quest for room-temperature superconductivity has been a long-standing aspiration in the field of materials science, driving extensive research efforts. In this work, we present a novel hydride, YSc$_2$H$_{24}$, which is stable at high…

Lanthanum-based compounds are cornerstones of superconductivity research, yet the La-5d orbitals typically remain empty spectator states far above the Fermi level (EF). While superconductivity has been induced in LaO up to 5.37 K in tensile…

Using first-principles variable-composition evolutionary methodology, we explored the high-pressure structures of beryllium hydrides between 0 and 400 GPa. We found that BeH$_2$ remains the only stable compound in this pressure range. The…

The discovery of high critical temperature T_{c} superconductivity in highly compressed H_{3}S has opened up the question of searching for strong electron-phonon coupling in the hydrides outside the transition metal series. The specific…

We report superconductivity in the ternary compound IrBi$_{0.8}$Te$_{1.2}$ with critical temperature 1.7 K. The replacement of Bi by Te leads to the metallic conductivity in contrast to the semiconducting parent compound IrBiTe. The…

Compressed hydrides are promising candidates for high-temperature superconductivity, yet achieving simultaneous structural stability and high-Tc at low pressures remains challenging. Here, we introduce a new mechanism for accomplishing this…

The intercalated layered nitride $\beta$-HfNCl has attracted much attention due to the high superconducting transition temperature up to 25.5 K. Electrons can be introduced into $\beta$-$M$NCl ($M$=Zr and Hf) through alkali-metals…