Related papers: Polymeric alkali fullerides are stable in air
Over the past 20 years, fullerides have been studied as the source of high-transition-temperature (Tc) superconductivity except for copper oxides. The recent finding of the Mott insulating state right beside superconductivity in Cs3C60 has…
The purpose of the paper is to predict the temperature at the fundamental blue edge (FBE) of the instability strip for RR Lyrae (RRL) variables from the pulsation equation that relates temperature to period, luminosity, and mass. Modern…
A stability criterion is worked out for the superconducting phase. The validity of a prerequisite, established previously for persistent currents, is thereby confirmed. Temperature dependence is given for the specific heat and concentration…
The mechanisms of formation of a metastable defect isomer of fullerene C60 due to the Stone-Wales transformation are theoretically studied. It is demonstrated that the paths of the "dynamic" Stone-Wales transformation at a high sufficient…
By means of first-principles calculations, we studied stable lattice structures and estimated superconducting transition temperature of CaSi$_2$ at high pressure. Our simulation showed stability of the AlB$_2$ structure in a pressure range…
Development of new greenhouse gas scavengers is actively pursued nowadays. Volatility caused solvent consumption and significant regeneration costs associated with the aqueous amine solutions motivate search for more technologically and…
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…
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…
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$_2$,…
Superconductivity in the recently proposed ground-state structures of atomic metallic hydrogen is investigated over the pressure range 500 GPa to 3.5 TPa. Near molecular dissociation, the electron--phonon coupling $\lambda$ and renormalized…
Transport properties of high transition temperature (high-Tc) superconductors have been shown to have two distinct relaxation rates. We argue that this apparent inconsistence can be resolved with an effective carrier density n linear in…
Recently it was discovered that, under elevated pressures, MoB$_2$ exhibits superconductivity at a critical temperature, $T_c$, as high as 32 K. The superconductivity appears to develop following a pressure-induced structural transition…
The 2014-2015 prediction, discovery, and confirmation of record high temperature superconductivity above 200K in H$_3$S, followed by the 2018 extension to superconductivity in the 250-280K range in lanthanum hydride, marks a new era in the…
Research on black phosphorus (BP) has been experiencing a renaissance over the last few years, after the demonstration that few-layer BP exhibits high carrier mobility and a thickness-dependent band gap. For a long time, bulk BP is also…
Electronic properties of the metallic pyrochlore oxide Cd2Re2O7 are studied by means of electrical resistivity and Hall measurements. Semimetallic band structures are revealed as expected from band structure calculations. It is found that…
Far-infrared reflectivity studies on the polycrystalline intermetallic compound MgB_2 with a superconducting transition temperature T_c=39 K were performed at temperatures 20 K to 300 K. We observe a significant raise of the…
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…
The majority of fulleride superconductors with unusually high transition-temperature to kinetic-energy ratios have a face-centred-cubic (FCC) structure. We demonstrate that, within extended Hubbard models with strong Coulomb repulsion,…
The halide double perovskite Cs$_2$AgBiBr$_6$ has been proposed as a potential replacement for organic halide perovskites for photovoltaic applications. Further investigation of its dielectric response, optical properties and structural…
We theoretically investigate the dynamical stability of one-dimensional fullerene polymers by computing the phonon dispersion relations within the atomistic approach. We find that only seven models among 54 models proposed previously [J.…