Related papers: Borane Derivatives: A New Class as Super and Hyper…
Metal-organic frameworks (MOFs), which are self-assemblies of metal ions and organic ligands, provide a tunable platform to search a new state of matter. A two-dimensional (2D) perfect kagome lattice, whose geometrical frustration is a key…
We present an efficient criterion for probing the critical temperature of hydrogen based superconductors. We start by expanding the applicability of 3D descriptors of electron localization to superconducting states within the framework of…
Superconductivity, the lossless flow of electric current, occurs typically at very low temperatures. A possible exception is highly pressurized hydrogen, for which room temperature superconductivity has been predicted. However, as a result…
Recent experimental developments in hydrogen-rich materials in high pressures have put this class of materials above others in the race toward room temperature superconductivity. As it is the basis of all the materials in this class, the…
Two-dimensional transition metal dichalcogenides entwine interaction, spin-orbit coupling, and topology. Hole-doped systems lack spin degeneracy: states are indexed with spin and valley specificity. This unique structure offers new…
Superconductivity in two-dimensional compounds is widely concerned, not only due to its application in constructing nano-superconducting devices, but also for the general scientific interests. Very recently, borophene (two-dimensional boron…
Following the discovery of high-temperature superconductivity in the La-H system, where for the recently discovered fcc-LaH10 a record critical temperature Tc = 250 K was achieved [Drozdov et al., Nature, 569, 528 (2019) and Somayazulu et…
We study density-balanced, mass-asymmetric electron-hole bilayers as a tunable platform for correlated quantum phases. With independent control of carrier density and interlayer separation, the system exhibits a rich phase diagram,…
Hydrogen sulfide (H2S) is a prototype molecular system and a sister molecule of water. The phase diagram of solid H2S at high pressures remains largely unexplored arising from the challenges in dealing with the looser S-H bond and larger…
High-entropy alloys (HEA) form through the random arrangement of five or more chemical elements on a crystalline lattice. Despite the significant amount of resulting compositional disorder, a subset of HEAs enters a superconducting state…
In this work, we foresee the structure of a new class of borophenes with smaller 2D densities of atoms than those explored so far for 2D boron crystals. Boron atoms in the porous borophenes tend to be $5$-coordinated in contrast to commonly…
Superconductor research has traditionally depended on experiments and theoretical approaches. However, the rapid advancement of data-driven methods and machine learning (ML) has opened avenues for accelerating superconductor discovery.…
Superconductors exhibit remarkable properties such as zero resistivity and diamagnetism at the boiling temperature of liquid hydrogen (20 K) and even aboven the boiling temperature of liquid nitrogen (77 K), making them promising candidates…
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…
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 binary metal borides provide a promising platform for searching unique materials with superconductivity and super-hardness under high pressure, owing to the distinctive bonding characters of boron. In this work, combined the…
Hydrogen is rarely observed as ligand in hypervalent species, however, we find that high-pressure hydrogenation may stabilise hypervalent hydrogen-rich materials. Focussing on ternary silicon hydrides via lithium doping, we find anions…
Inspired by recent predictions of superconductivity in B-C framework clathrates, we employ density functional theory to explore potential superconductors among hexagonal hydride-substituted compounds with compositions XB$_8$C, XB$_7$C$_2$,…
Motivated by the recent claim of hot superconductivity with critical temperatures up to 550 K in La + x hydrides (arXiv:2006.03004), we investigate the high-pressure phase diagram of possible compounds that may have formed in the…
In a semiclassical view superconductivity is attributed exclusively to the advance of atoms' outer s electrons through the nuclei of neighbor atoms in a solid. The necessary progression of holes in the opposite direction has the electric…