Related papers: Superconductivity in RbH$_{12}$ at low pressures: …

Due to its low atomic mass hydrogen is the most promising element to search for high-temperature phononic superconductors. However, metallic phases of hydrogen are only expected at extreme pressures (400 GPa or higher). The measurement of a…

The computational and experimental exploration of the phase diagrams of binary hydrides under high pressure has uncovered phases with novel stoichiometries and structures, some which are superconducting at quite high temperatures. Herein we…

We employed a machine-learning assisted approach to search for superconducting hydrides under ambient pressure within an extensive dataset comprising over 150 000 compounds. Our investigation yielded around 50 systems with transition…

We explore high-pressure phase stability and superconductivity of lanthanum hydrides $LaH_m$ (m=4-11,16). We predict stability of a hitherto unreported polyhydride $P6/mmm$-$LaH_{16}$ at pressures above 150 GPa; at 200 GPa its predicted…

Hydrogen-rich materials are the most promising candidates for high-temperature conventional superconductors under ambient pressure. Multinary hydrides have abundant structural configurations and are more promising to find high-temperature…

We study the electronic and lattice dynamical properties of compressed solid germane in the pressure range up to 200 GPa with density functional theory. A stable metallic structure, Aba2, with a base-centered orthorhombic symmetry was found…

Satterthwaite and Toepke (1970 Phys. Rev. Lett. 25 741) predicted high-temperature superconductivity in hydrogen-rich metallic alloys, based on an idea that these compounds should exhibit high Debye frequency of the proton lattice, which…

Metal hydrides can be tuned to have a diverse range of properties and find applications in hydrogen storage and superconductivity. Finding methods to control the synthesis of hydrides can open up new pathways to unlock novel hydride…

It has been a hot issue to search for hydrides at high pressure with high superconducting transition temperature (Tc). In this work, ternary hydrogen-rich compounds KYHn (n = 1-16) were studied and calculated using the density function…

Here we report targeted high-pressure synthesis of two novel high-$T_C$ hydride superconductors, $P6_3/mmc$-$ThH_9$ and $Fm\bar{3}m$-$ThH_{10}$, with the experimental critical temperatures ($T_C$) of 146 K and 159-161 K and upper critical…

The recent surprising discovery of superconductivity with critical temperature $T_c$ = 32 K in MoB$_2$ above 70 GPa has led to the search for related materials that may superconduct at similarly high $T_c$ values and lower pressures. We…

Inspired by the first boron-carbon (B-C) clathrate SrB$_3$C$_3$ and the ternary borohydride KB$_2$H$_8$ [Miao et al., Phys. Rev. B 104 L100504 (2021)], we have performed first-principles density functional theory calculations of the…

Crystal structure searching and ab initio calculations have been used here to explore low-energy structures of boron carbides under high pressure. Under pressures of 85-110 GPa, a metastable B6C with R-3m symmetry is found to be…

In the search for MgB2-like phonon-mediated superconductors we have carried out a systematic density functional theory study of the Ca-B system, isoelectronic to Mg-B, at ambient and gigapascal pressures. A remarkable variety of candidate…

Evolutionary crystal structure prediction searches have been employed to explore the ternary Li-F-H system at 300 GPa. Metastable phases were uncovered within the static lattice approximation, with LiF$_3$H$_2$, LiF$_2$H, Li$_3$F$_4$H,…

Evolutionary algorithms (EA) coupled with Density Functional Theory (DFT) calculations have been used to predict the most stable hydrides of phosphorous (PHn, n = 1-6) at 100, 150 and 200 GPa. At these pressures phosphine is unstable with…

Experimental discovery of near-room-temperature superconductivity in highly compressed hydrogen sulfate started a new era in superconductivity. To date, researchers have made the discovery of dozens of superconducting hydride phases with…

Room-temperature superconductivity was recently discovered in carbonaceous sulfur hydride (C-S-H) close to 3\,Mbar. We report significant differences in the superconducting response of C-S-H, with a maximum $T_{C}$ of 191(1)\,K, below a…

With the motivation of searching for new superconductors in the Mg-B system, we performed ab initio evolutionary searches for all the stable compounds in this binary system in the pressure range of 0-200 GPa. We found previously unknown,…

Motivated by the recent report of room-temperature superconductivity at near-ambient pressure in N-doped lutetium hydride by Dasenbrock et al. [Nature 615, 244 (2023)], we performed a comprehensive, detailed study of the phase diagram of…