相关论文: Prediction of high-Tc superconductivity in ternary…
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…
Boron-based clathrate materials, typically with three-dimensional networks of B atoms, have tunable properties through substitution of guest atoms, but the tuning of B cages themselves has not yet been developed. By combining crystal…
We predicted a new ternary hydride Li$_2$SiH$_6$ at high pressures. A systematic structure search in Li$_2$SiH$_6$ compound reveals novel stable phases with intriguing electronic and phonon properties. It is found that Li$_2$SiH$_6$ is…
Noble metals adopt close-packed structures at ambient pressure and rarely undergo structural transformation at high pressures. Platinum (Pt), in particular, is normally considered to be unreactive and is therefore not expected to form…
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…
Binary hydrides formed by the pnictogens of phosphorus, arsenic and antimony are studied at high pressures using first principles methods. Stable structures are predicted and their electronic, vibrational and superconducting properties are…
Motivated by the recent report of superconductivity above 200 K in ultra-dense hydrogen sulfide, we search for high-\tc\ conventional superconductivity in the phase diagram of the binary Li-S system, using {\em ab-initio} methods for…
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…
Two hydrogen-rich materials, H$_3$S and LaH$_{10}$, synthesized at megabar pressures, have revolutionized the field of condensed matter physics providing the first glimpse to the solution of the hundred-year-old problem of room temperature…
The stability of different stoichiometric H$_n$Br ($n$=1-7) compounds under pressure are extensively studied using density functional theory calculations. Five new energetically stable stoichiometries of H$_2$Br, H$_3$Br, H$_4$Br, H$_5$Br,…
The recent discovery of a class of sodalite-like clathrate superhydrides (e.g., YH6, YH9, ThH9, ThH10, and LaH10) at extreme pressures, which exhibit commonly a high-temperature superconductivity with the highest Tc approaching 260 K for…
High-pressure hydrogen-rich compounds have long been regarded as promising room-temperature superconductor candidates; however, their practical applications are limited by their reliance on extreme compression. This study explores…
Recent discovery of high-temperature superconductivity (Tc = 190 K) in sulfur hydrides at megabar pressures breaks the traditional belief on the Tc limit of 40 K for conventional superconductors, and open up the doors in searching new…
Superconductivity in highly-pressurized hydrides became primary direction for the exploration of fundamental upper limit for the superconducting transition temperature, Tc, after Drozdov et al (Nature 2015, 525, 73) discovered…
Room temperature superconductivity has been achieved under high pressure in an organically derived carbonaceous sulfur hydride with a critical superconducting transition temperature (Tc) of 288 kelvin. This development is part of a new…
We have systematically searched for the ground state structures of bismuth hydrides based on evolutionary algorithm method and particle swarm optimization algorithm method. Given only rich-hydrogen region, except for BiH$_{3}$, other…
Exploration of superconductivity in light element compounds has drawn considerable attention because those materials can easily realize the high $T_{c}$ superconductivity, such as ${\mathrm{LnNi}}_{2}{\mathrm{B}_{2}}{\mathrm{C}}$ ($T_{c}$…
The high critical temperature phase of lanthanum hydrides deserves special attention because this phase displays the highest observed critical temperature. We focus on the evaluation of the critical temperature, isotope coefficient, and…
Recent experiments have shown that CeH9 and (Ce,La)H9 can be synthesized under high pressure between 90-170GPa and become a superconductor with a high value of superconducting critical temperature (Tc) between 100-200K. In this work, we…
Recent progress on theoretical predictions of ternary superhydrides and their subsequent experimental confirmations have introduced us with a new generation of superconductors, having the potential to realize the synthesis of the most…