Search

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 these prospective superconductors across the pressure range of 50-200 GPa, revealing their electronic band structures, phonon dispersions, electron-phonon interactions, and superconducting properties. Several compounds were identified as dynamically stable, with ScYbH$_{12}$ and LuYbH$_{12}$ remaining stable at 70 GPa, and ScLuH$_{12}$ at 100 GPa. Notably, Eliashberg theory and electron-phonon coupling calculations predict CaLuH$_{12}$ to exhibit a remarkable $T_{c}$ of up to 294 K at 180 GPa. These findings unveil ternary hydrides as a promising class of high-temperature superconductors and provide insights for achieving superconductivity at lower or ambient pressures through material design and exploration.

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 electronic and phonon band structures for B-C compounds MB$_2$C$_8$ (M = Na, K, Rb, Cs). Our calculations reveal that these materials are dynamically stable and can potentially exhibit superconductivity at ambient pressure. However, only the K, Rb, and Cs compounds exhibit thermodynamic stability below 50 GPa, while NaB$_2$C$_8$ remains thermodynamically unstable at all pressures considered. Based on the Allen and Dynes modified McMillan equation, we predict the superconducting transition temperature $T_c$ of these compounds to be over 65 K at ambient pressure, with $T_c$ decreasing under higher pressures. Remarkably, we find CsB$_2$C$_8$ possesses the highest predicted $T_c$ of 68.76 K. Our findings demonstrate the possibility of high temperature superconductivity in cubic MB$_2$C$_8$ at ambient pressure, expanding the B-C clathrate superconductor family. These results provide valuable insights to guide the identification of new atmospheric pressure superconductors.

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, electronic band structure, and superconductivity analyses in the 100-200 GPa pressure range reveal a strong electron-phonon coupling in LuBeH$_8$. While $T_{c}$ shows a decreasing trend as the pressure increases, with a superconducting critical temperature $T_c$ of 255 K at 200 GPa and a maximum $T_c$ of 355 k at 100 GPa. Our research has demonstrated the room-temperature superconductivity in $Fm\overline{3}m$-LuBeH$_8$, thus enriching the family of ternary hydrides. These findings provide valuable guidance for identifying new high-temperature superconducting hydrides.

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. Two more phases with spacegroup $R\overline{3}m$ and $C2/m$, were investigated within the increasing pressures. CeBH$_8$ shows a similar phase transition process as CeBeH$_8$ but with higher transition pressures and higher $T_c$. $Fm\overline{3}m$-CeBH$_8$ is predicted to be superconducting above 120 GPa with a maximum $T_{c}$ of 118 K at 150 GPa. $R\overline{3}m$-CeBH$_8$ and $C2/m$-CeBH$_8$ are dynamically stable above 120 GPa and 100 GPa, respectively. The maximum $T_{c}$ is 123 K at 195 GPa for $R\overline{3}m$-CeBH$_8$, and 115 K at 350 GPa for $C2/m$-CeBH$_8$. Our work enriches the family of ternary hydrides and may provide a useful guideline for further search for superconducting hydrides at low and moderate pressures.

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 dynamically stable from ambient pressure up to 400 GPa with three novel phases: P312, P$\bar{3}$, and P$\bar{6}$2m. The calculation of electron-phonon coupling combined with Bardeen-Cooper-Schrieffer's argument indicates that this compound may be a candidate for high $T_c$ superconductors under high pressures. In particular, the maximum $T_c$ of $P\bar{6}2m$-Li$_2$SiH$_6$ at 400 GPa reaches 56 K. These findings may pave the way for obtaining room temperature superconductors in dense hydrogen-rich compounds.

Plasma wakefield acceleration is a promising technology to reduce the size of particle accelerators. Use of high energy protons to drive wakefields in plasma has been demonstrated during Run 1 of the AWAKE programme at CERN. Protons of energy 400 GeV drove wakefields that accelerated electrons to 2 GeV in under 10 m of plasma. The AWAKE collaboration is now embarking on Run 2 with the main aims to demonstrate stable accelerating gradients of 0.5-1 GV/m, preserve emittance of the electron bunches during acceleration and develop plasma sources scalable to 100s of metres and beyond. By the end of Run 2, the AWAKE scheme should be able to provide electron beams for particle physics experiments and several possible experiments have already been evaluated. This article summarises the programme of AWAKE Run 2 and how it will be achieved as well as the possible application of the AWAKE scheme to novel particle physics experiments., Comment: 21 pages, 8 figures. Submitted to Symmetry journal

Insulating ferromagnets with high TC are required for many new magnetic devices. More complexity arises when strongly correlated 3d ions coexist with strongly spin-orbit coupled 5d ones in a double perovskite. Here, we perform the structural, magnetic, and density functional theory study of such double perovskite La2CuIrO6. A new P21/n polymorph is found according to the comprehensive analysis of x-ray, Raman scattering and phonon spectrum. The magnetization reveals a weak ferromagnetic (FM) transition at TC = 62 K and short range FM order in higher temperature range. A huge coercivity is found as high as HC~11.96 kOe at 10K, which in combination with the negative trapped field results in the magnetization reversal in the zero field cooling measurement. The first principle calculations confirm the observed FM state and suggest La2CuIrO6 of this polymorph is a Mott insulating ferromagnet assisted by the spin-orbit coupling., Comment: 17 pages, 9 figures