Related papers: Stable magnesium peroxide at high pressure
The Fe-Si-O ternary system, central to modeling the interiors of terrestrial planets, remains poorly constrained at Terapascal (TPa) pressures characteristic of super-Earth mantles. Using a combination of crystal-structure prediction and ab…
The stability of MgH$_2$ has been studied up to 20~GPa using density-functional total-energy calculations. At ambient pressure $\alpha$-MgH${_2}$ takes a TiO$_2$-rutile-type structure. $\alpha$-MgH$_2$ is predicted to transform into…
We report on in-situ resistivity measurements on GaMnAs during post-growth annealing in different atmospheres. A drop in the resistivity is observed when the GaMnAs is exposed to oxygen, which indicates that the passivation of Mn…
A mixture of Mg and MgO has been subjected to a shock-wave pressure of 170 kbar. The ac susceptibility measurements of the product has revealed a metastable superconductivity with Tc=30 K, characterized by glassy dynamics of the shielding…
Commercially available gases contain residual impurities leading to a background oxygen partial pressure of typically several 10^{-6} bar, independent of temperature. This oxygen partial pressure is inappropriate for the growth of some…
Gas hydrates are considered fundamental building blocks of giant icy planets like Neptune and similar exoplanets. The existence of these materials in the interiors of giant icy planets, which are subject to high pressures and temperatures,…
As the characterization of exoplanet atmospheres proceeds, providing insights into atmospheric chemistry and composition, a key question is how much deeper into the planet we might be able to see from its atmospheric properties alone. For…
Magnesium (Mg) and its alloys have a great potential as structural materials due to their beneficial combination of high strength to weight ratio, high thermal conductivity and good machinability. However, few literatures about Mg coatings…
Iron-bearing oxides undergo a series of pressure-induced electronic, spin and structural transitions that can cause seismic anomalies and dynamic instabilities in Earth's mantle and outer core. We employ x-ray diffraction and x-ray emission…
Oxygen solubility in solid iron is extremely low, even at high pressures and temperatures. Thus far, no Fe-O compounds between Fe and FeO endmembers have been reported experimentally. We observed chemical reactions of Fe with FeO or…
Most exoplanets with a few Earth radii are more inflated than bare-rock planets with the same mass, indicating a substantial volatile amount. Neither the origin of the volatiles nor the planet's bulk composition can be constrained from the…
Marcasite-type compounds have been proposed as promising hosts of exotic magnetic quantum states, yet experimental realizations in stoichiometric, disorder-free systems remain limited. Here, we report the high-pressure stabilization and…
The search and exploration of new materials not found in nature is one of modern trends in pure and applied chemistry. In the present work, we report on experimental and \textit{ab initio} density-functional study of the…
The possible importance of oxide formation for the catalytic activity of transition metals in heterogenous oxidation catalysis has evoked a lively discussion over the recent years. On the more noble transition metals (like Pd, Pt or Ag) the…
Earth and Moon are shown here to be composed of oxygen isotope reservoirs that are indistinguishable, with a difference in {\Delta}"17O of -1 +/- 5ppm (2se). Based on these data and our new planet formation simulations that include a…
We investigate energetically favorable structures of ABO$_2$N oxynitrides as functions of pressure and strain via swarm-intelligence-based structure prediction methods, DFT lattice dynamics and first-principles molecular dynamics. We…
The resistivity $\rho_{dc}$ of manganites is studied using a random-resistor-network, based on phase-separation between metallic and insulating domains. When percolation occurs, both as chemical composition and temperature vary, results in…
The low-pressure stabilization of superconducting hydrides with high critical temperatures ($T_c$s) remains a significant challenge, and experimentally verified superconducting hydrides are generally constrained to a limited number of…
Small exoplanets of nearby M dwarf stars present the possibility to find and characterize habitable worlds within the next decade. TRAPPIST-1, an ultracool M dwarf star, was recently found to have seven Earth-sized planets of predominantly…
Motivated by recent discovery of yttrium-based high-temperature ternary superconducting hydrides (e.g., CaYH$_{12}$, LaYH$_{12}$, and ScYH$_{6}$), we have employed evolutionary algorithm and first-principles calculations to comprehensively…