Related papers: BCS superconductivity in ionic hydrides using chem…
We report on the crystal growth and characterization of ABi3 (A=Ba,Sr) superconductors. Single crystals of both compounds were grown by the self-flux technique. BaBi3 crystallized in a tetragonal structure with space group P4/mmm and SrBi3…
We predict by first principles calculations that the recently prepared borophene is a pristine two-dimensional (2D) monolayer superconductor, in which the superconductivity can be significantly enhanced by strain and charge carrier doping.…
Recent research on compressed binary hydrides have unveiled the potential for achieving superconductivity at near-room-temperature. Nevertheless, the available decision-making procedures standing behind the selection of constituent elements…
High-pressure superconductivity in a rare-earth doped Ca0.86Pr0.14Fe2As2 single crystalline sample has been studied up to 12 GPa and temperatures down to 11 K using designer diamond anvil cell under a quasi-hydrostatic pressure medium. The…
Recent breakthroughs in vacancy-ordered double perovskite hydride materials have underscored their significant potential for integration into next-generation high-capacity hydrogen energy storage systems. We perform extensive first…
Hydrogen-rich hydrides attract great attention due to recent theoretical (1) and then experimental discovery of record high-temperature superconductivity in H3S (Tc = 203 K at 155 GPa (2)). Here we search for stable uranium hydrides at…
Lead-free double perovskite halides are emerging optoelectronic materials that are alternatives to lead-based perovskite halides. Recently, single-crystalline double perovskite halides were synthesized, and their intriguing functional…
Hole-doping of covalent materials has long served as a blueprint for designing conventional high-$T_{\rm c}$ superconductors, but thermodynamic constraints severely limit the space of realizable compounds. Our ab initio results indicate…
The recent reports on 203 K superconductivity in compressed hydrogen sulfide, H$_3$S, has attracted great interest in sulfur-hydrogen system under high pressure. Here, we investigated the superconductivity of P-doped and Cl-doped H$_3$S…
Two extreme members of the cobaltite series, LaCoO3 and DyCoO3, were investigated by the electrical resistivity and thermopower measurements up to 800-1000 K. Special attention was given to effects of extra holes or electrons, introduced by…
We report here the completion of the electronic structure of the majority of the known stoichiometric inorganic compounds, as listed in the International Crystal Structure Data-base (ICSD). We make a detailed comparison of the electronic…
Pressure as a clean and efficient tool can bring about unexpected extraordinary physical and chemical properties of matters. The recent discoveries of superconductivity at nearly room temperature in hydrides highlight the power of pressure…
We investigate the possibility of achieving high-temperature superconductivity in hydrides under pressure by inducing metallization of otherwise insulating phases through doping, a path previously used to render standard semiconductors…
By applying density functional theory (DFT) and ab-initio molecular dynamics (AIMD) simulations, we predict the ultrahigh hydrogen storage capacity of K and Ca decorated single-layer biphenylene sheet (BPS). We have kept various alkali and…
The temperature dependence of the London penetration depth $\Delta\lambda(T)$ in the superconducting doped topological crystalline insulator Sn$_{1-x}$In$_x$Te was measured down to 450 mK for two different doping levels, x $\approx$ 0.45…
Polycrystalline Eu0.5La0.5BiS2F was synthesized by solid state reaction which crystallizes in the tetragonal CeOBiS2 structure (P4/nmm). We report here enhancement of Tc to 2.2 K in Eu0.5La0.5BiS2F (by electron doping in EuBiS2F with Tc ~…
Over the past decade, a combination of crystal structure prediction techniques and experimental synthetic work has thoroughly explored the phase diagrams of binary hydrides under pressure. The fruitfulness of this dual approach is…
Mixed-valent perovskite oxides based on BaBiO3 (BBO) are, like cuperates, well-known high-Tc superconductors. Recent ab inito calculations have assigned the high-Tc superconductivity to a correlation-enhanced electron--phonon coupling…
The structural, electronic, lattice dynamics, electron-phonon coupling, and superconducting properties of the alkali-metal hydride RbH, metalized through electron-doping by the construction of the solid-solution Rb$_{1-x}$Sr$_x$H, are…
Metal-stuffed B$-$C compounds with sodalite clathrate structure have captured increasing attention due to their predicted exceptional superconductivity above liquid nitrogen temperature at ambient pressure. However, by neglecting the…