相关论文: Helium-iron compounds at terapascal pressures
As the simplest iron-based superconductor, FeSe forms a tetragonal structure with transition temperature Tc ~ 8 K. With assistance of pressure, or other techniques, Tc can be greatly enhanced, even to above liquid nitrogen temperature. The…
Alkali metals exhibit unexpected structures and electronic behavior at high pressures. Compression of metallic sodium (Na) to 200 GPa leads to the stability of a wide-band-gap insulator with the double hexagonal hP4 structure. Post-hP4…
We provide a method to test if hadrons produced in high energy heavy ion collisions were emitted at freeze-out from an equilibrium hadron gas. Our considerations are based on an ideal gas at fixed temperature $T_f$, baryon number density…
The transport properties (electrical resistivity, thermal conductivity, and viscosity) of iron-hydrogen alloys are of great significance in the stability and evolution of planetary magnetic fields. Here, we investigate the thermal transport…
The iron-sulfur system is important for planetary interiors and is intensely studied, particularly for better understanding of the cores of Mars and Earth. Yet, there is a paradox about high-pressure stability of FeS: ab initio global…
Group I/II materials exhibit unexpected structural phase transitions at high pressures, providing potential insight into the origins of elemental superconductivity. We present here a computational study of elemental barium and binary…
High pressure structures, phase diagram and superconductivity of polonium hydrides have been systematically investigated through the first-principles calculations based on the density functional theory. With the increasing pressure, several…
We present a mean-field calculation of the phase diagram of a simple model of localized moments, in the hexagonal uranium heavy-fermion compounds. The model considers a non-Kramers quadrupolar doublet ground state magnetically coupled with…
We present a new approach to study the magnetic phase stability of magnetic overlayers on nonmagnetic substrates. The exchange integrals among magnetic atoms in the overlayer are estimated in the framework of the adiabatic approximation and…
The cubic antifluorite structure comprises a face-centered cubic sublattice of anions with cations on the tetrahedral sites. The voids in the antifluorite structure that are crucial for superionicity in Li2O might also act as atomic traps.…
Motivated by the recent report of superconductivity above 200 K in ultra-dense hydrogen sulfide, we search for high-\tc\ conventional superconductivity in the phase diagram of the binary Li-S system, using {\em ab-initio} methods for…
Electrical-resistivity and magnetic-susceptibility measurements under hydrostatic pressure up to p = 2.75 GPa have been performed on superconducting LiFeP. A broad superconducting (SC) region exists in the temperature - pressure (T-p) phase…
Equilibrium properties of hydrogen-helium mixtures under thermodynamic conditions found in the interior of giant gas planets are studied by means of density functional theory molecular dynamics simulations. Special emphasis is placed on the…
Barium hydrides are of interest for their potential in both ionic conductivity and superconductivity. Recently, a superconducting hydride BaH$_{12}$ containing H$_2$ and H${_3}^{-1}$ molecular units was experimentally reported with a…
Metal atoms and small clusters introduced into superfluid helium (He II) concentrate there in quantized vortices to form (by further coagulation) the thin nanowires. The nanowires' thickness and structure are well predicted by a…
Transit observations in the helium triplet around 10830 Angstrom are a successful tool to study exoplanetary atmospheres and their mass loss. Forming those lines requires ionisation and recombination of helium in the exoplanetary…
Stabilizing nitrogen-rich compound crystals under conventional conditions is a key issue in the development and application of high-energy density materials (HEDMs). Herein, a two-dimensional double-layer interlocked Li4(N5)2 nitrogen-rich…
Hydrogen, helium, silicates, and iron are key building blocks of rocky and gas-rich planets, yet their chemical interactions remain poorly constrained. Using first-principles molecular dynamics and thermodynamic integration, we quantify…
Superconducting high-entropy alloys (HEAs) present a unique platform for studying the effect of disorder, composition, and crystal structure on superconducting pairing. In this study, we present a comprehensive bulk and microscopic…
Iron oxides are fundamental components of planet-forming materials. Understanding the Fe-O system's behavior and properties under high pressure can help us identify many new phases and states possible in exoplanetary interiors, especially…