相关论文: Re-determination of the Pseudobinary System Li2O-M…

Simulations of nematic-isotropic transition of liquid crystals in two dimensions are performed using an O(2) vector model characterised by non linear nearest neighbour spin interaction governed by the fourth Legendre polynomial $P\_4$. The…

Iron(II) monoxide (FeO) is thermodynamically stable in the halite (w\"ustite) structure only at elevated temperatures in a typically non-stoichiometric, Fe-deficient, Fe$_{1-z}$O form that tends to phase separate and/or transform into…

The structural and polar properties of BiFeO3 at finite temperature are investigated using an atomistic shell model fitted to first-principles calculations. Molecular Dynamics simulations show a direct transition from the low-temperature…

The phase diagram gadolinium fluoride - lutetium fluoride was determined by differential scanning calorimetry (DSC) and X-ray powder diffraction analysis. Both pure components undergo a reversible first order transformation to a high…

In this article, we address the issue of vanadium dissolution pertinent in the layered Fe5V15O39(OH)9.9H2O using the solubility limit approach. This layered oxide is prepared via a low-cost solution phase synthesis route and crystallizes in…

Fe and FeH form a binary eutectic system above ~40 GPa. Here we performed melting experiments in a laser-heated diamond-anvil cell (DAC) and obtained the Fe-FeH eutectic melting curve between 52 and 175 GPa. Its extrapolation shows the…

Lead-halide organic-inorganic perovskites consist of an inorganic host framework with an organic molecule occupying the interstitial space. The structure and dynamics of these materials have been heavily studied recently due to interest in…

A new phase is detected within 100micrometers of 24 DEG ab grain boundary (GB) in YBa2Cu3O7-d 50 nm films on SrTiO3 by enhanced (001) anomalous scattering. Site identification and temperature dependence is interpreted using crystallographic…

Multilevel Monte Carlo simulations of the vortex matter in the highly-anisotropic high-temperature superconductor Bi$_2$Sr$_2$CaCu$_2$O$_8$ were performed. We introduced low concentration of columnar defects satisfying $B_\phi\le B$. Both…

A new-type structural transition has been found in Li2RuO3 with honeycomb lattice of edge-sharing RuO6-octahedra. With decreasing temperature T, the electrical resistivity exhibits an anomalous increase at T=Tc~540 K, suggesting the (metal…

The ground bound states in the five-body muonic ions $a b \mu e_2$ (or $(a b \mu e_2)^{-}$), where $(a, b) = (p, d, t)$, are considered for the first time. As follows from accurate numerical computations of these five-body ions they are…

Here we report the discovery of the first ternary molybdenum pnictide based superconductor K2Mo3As3. Polycrystalline samples were synthesized by the conventional solid state reaction method. X-ray diffraction analysis reveals a…

The structural phase diagram of the Pb-free ferroelectric (Na1/2Bi1/2)1-xBaxTiO3 (NBT-BT), x<0.1, has been explored by Raman spectroscopy at temperatures from 10 to 470 K. The data provide clear evidence for a proposed…

We investigate the pressure-temperature ($p$-$T$) phase diagram of elemental lithium (Li) up to multiterapascal (TPa) pressures using ab-initio random structure search (AIRSS) and density functional theory (DFT). At zero temperature, beyond…

We report the results of $^{7}$Li nuclear magnetic resonance (NMR) studies of LiVGe$_{2}$O$_{6}$, a quasi one--dimensional spin $S = 1$ model system, at low temperatures. Our data, including NMR spectra and the temperature dependence of the…

We report a comprehensive first-principles study of the thermodynamics and transport of intrinsic point defects in layered oxide cathode materials LiMO$_2$ (M=Co, Ni), using density-functional theory and the Heyd-Scuseria-Ernzerhof screened…

We present globally inverted pressure-temperature (P-T) phase diagrams up to 5,000 GPa for four fundamental planetary materials, Fe, MgO, SiO2, and MgSiO3, derived from logistic regression and supervised learning, together with an…

The energy levels of the muonium ($\mu^+ e^-$) atom, which consists of two ''point-like'' leptonic particles, can be calculated to very high accuracy in the framework of bound state Quantum Electrodynamics (QED), since there are no…

Using a sample of 116 wide binary systems as coeval and chemically homogeneous stellar pairs, we investigate the factors governing lithium depletion in main-sequence stars. We recover the well-established morphology of the…

Disordered rock-salt with Li-excess (DRX) cathode phases within the Li-Mn-Ti-O (LMTO) composition space have recently been extensively studied, as they promise to deliver exceptional energy density at low cost in Li-ion batteries. The…