Related papers: Superconductivity and strong anharmonicity in nove…

Lanthanum (La) is the first member of the rare-earth series of elements that has recently raised considerable interest because of its unique high-Tc superhydride LaH10. Although several studies have found superconductivity and phase…

Recently superconductivity has been discovered at around 200~K in a hydrogen sulfide system and around 260~K in a lanthanum hydride system, both under pressures of about 200 GPa. These record-breaking transition temperatures bring within…

In this work, we resolve conflicting experimental and theoretical findings related to the dynamical stability and superconducting properties of $Fm\overline{3}m$-LuH$_3$, which was recently suggested as the parent phase harboring…

The theoretical exploration of the phase diagrams of binary hydrides under pressure using \emph{ab initio} crystal structure prediction techniques coupled with first-principles calculations has led to the \emph{in silico} discovery of…

We give a brief review of superconductivity at ambient pressure in elements, alloys, and simple three-dimensional compounds. Historically these were the first superconducting materials studied, and based on the experimental knowledge gained…

Superconductivity with Tc above 9 K was found in metal-deficient NbB2 prepared under 5 GPa, while no clear superconductivity was observed down to 3 K in stoichiometric NbB2. The superconductivity was observed above x = 0.04 in Nb1-xB2. and…

Motivated by advances in hydrogen-rich superconductors in the past decades, we conducted variable-composition structural searches in Mo-H binary system at high pressure. A new composition-pressure phase diagram of thermodynamically stable…

The superconducting phase diagram of MgB2 was determined from magnetization, magneto-transport and the first single-crystal specific heat measurements. A zero-temperature in-plane coherence length of 8 nm is determined. The superconducting…

In this work, we have investigated the precursor effects to superconductivity in BaPb$_{0.75}$Bi$_{0.25}$O$_3$ using temperature dependent resistivity, x-ray diffraction technique and photoemission spectroscopy. The present compound…

The Li$_2$S-P$_2$S$_5$ pseudo-binary system has been a valuable source of promising superionic conductors, with $\alpha$-Li$_3$PS$_4$, $\beta$-Li$_3$PS$_4$, HT-Li$_7$PS$_6$, and Li$_7$P$_3$S$_{11}$ having excellent room temperature Li-ion…

Following the idea that hydrogen-rich compounds might be high-T$_c$ superconductors at high pressures, and the very recent breakthrough in predicting and synthesizing hydrogen sulfide with record-high T$_c$ = 203 K, ab initio evolutionary…

The exploration of superconductivity in low-dimensional materials has attracted intensive attention for decades. Based on first-principles electronic structure calculations, we have systematically investigated the electronic and…

Based on a combination of X-ray diffraction, electrical transports, magnetic susceptibility, specific heat and pressure effect measurements, we report a series of BiS$_{2}$-based Sr$_{1-x}$Pr$_{x}$FBiS$_{2}$ superconductors with the maximum…

The nature of the lattice instability connected to the structural transition and superconductivity of (Sr,Ca)$_3$Ir$_4$Sn$_{13}$ is not yet fully understood. In this work density functional theory (DFT) calculations of the phonon…

We survey the landscape of binary hydrides across the entire periodic table from 10 to 500 GPa using a crystal structure prediction method. Building a critical temperature ($T_c$) model, with inputs arising from density of states…

We study the impact of phonon anharmonicity on the electronic dynamics of soft materials using a nonperturbative quantum-classical approach. The method is applied to a one-dimensional model of doped organic semiconductors with low-frequency…

The stability of high-pressure phases of P has been studied using density functional theory and the local density approximation. Using a linear response technique, we have calculated the phonon spectrum and electron-phonon interaction for…

Light-element compounds hold great promise of high critical temperature superconductivity judging from the theoretical perspective. Hydrogen-rich material, benzene, is such a kind of candidate but also an organic compound. A series of…

Noting the structural relationships between phases of carbon and boron carbide with phases of boron nitride and boron subnitride, we investigate their mutual solubilities using a combination of first principles total energies supplemented…

Inelastic x-ray scattering and $ab$-$initio$ calculation are applied to investigate the lattice dynamics and electron-phonon coupling of the ternary silicide superconductor CaAlSi ($P/bar{6}m2$). A soft c-axis polarized mode is clearly…