Related papers: Krypton oxides under pressure
A neutron star is born as a hot, lepton-rich protoneutron star (PNS) and cools via neutrino emission, eventually allowing heavy ions in the outer layers to crystallize into a solid crust. We develop a simple analytic estimate for the onset…
We investigate the possibility of kaon condensation in the dense interior of neutron stars through the s--wave interaction of kaons with nucleons. We include nucleon--nucleon interactions by using simple parametrizations of realistic…
Through a systematic structural search we found an allotrope of carbon with Cmmm symmetry which we predict to be more stable than graphite for pressures above 10 GPa. This material, which we refer to as Z-carbon, is formed by pure sp3 bonds…
We present results of lattice dynamics calculations of Poisson's ratio (PR) for solid hydrogen and rare gas solids (He, Ne, Ar, Kr and Xe) under pressure. Using two complementary approaches - the semi-empirical many-body calculations and…
We have developed a method for prediction of the hardest crystal structures in a given chemical system. It is based on the evolutionary algorithm USPEX (Universal Structure Prediction: Evolutionary Xtallography) and electronegativity-based…
Through advanced experimental techniques on CrI$_{3}$ single crystals, we derive a previously not discussed pressure-temperature phase diagram. We find that $T_{c}$ increases to $\sim$ 66\,K with pressure up to $\sim$ 3\,GPa followed by a…
Crystal structure prediction is a central problem of theoretical crystallography and materials science, which until mid-2000s was considered intractable. Several methods, based on either energy landscape exploration$^{1,2}$ or, more…
This work reports on the synthesis of CrO2 thin films by atmospheric pressure CVD using chromium trioxide (CrO3) and oxygen. Highly oriented (100) CrO2 films containing highly oriented (0001) Cr2O3 were grown onto Al2O3(0001) substrates.…
Thirty-two krypton isotopes have been observed so far; the discovery of these isotopes is discussed. For each isotope a brief summary of the first refereed publication, including the production and identification method, is presented.
Oxygen is in many ways a unique element: the only known diatomic molecular magnet and the capability of stabilization of the hitherto unexpected O8 cluster structure in its solid form at high pressure. Molecular dissociations upon…
A new method for measuring trace amounts of krypton in xenon using a cold trap with a residual gas analyzer has been developed, which achieves an increased sensitivity by temporarily reducing the pumping speed while expending a minimal…
In the present work, the density functional theory (DFT) in the generalized-gradient approximation developed by Perdew, Burke, and Ernzerhof (PBE) +U method, i.e., PBE+U, was employed to predict temperature-dependent thermodynamic…
Ternary C_{x}N_{y}O_{z} compounds are actively researched as novel high energy density and ultrahard materials. Although some synthesis work has been performed at ambient conditions, very little is known about the high pressure chemistry of…
A high performance distillation system to remove krypton from xenon was constructed, and a purity level of Kr/Xe = $\sim 3 \times 10^{-12}$ was achieved. This development is crucial in facilitating high sensitivity low background…
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…
The application of high pressure can fundamentally modify the crystalline and electronic structures of elements as well as their chemical reactivity, which could lead to the formation of novel materials. Here, we explore the reactivity of…
The appropriateness of including Hg among the transition metals has been debated for a long time. Although the synthesis of HgF$_{4}$ molecules in gas phase was reported before, the molecules show strong instabilities and dissociate.…
Nitrides, carbides and borides of transition metals are an attractive class of hard materials. Our recent preliminary explorations of the binary chemical compounds indicated that chromium-based materials are among the hardest transition…
The make-up of the outer planets, and many of their moons, are dominated by matter from the H-C-N-O chemical space, commonly assumed to originate from mixtures of hydrogen and the planetary ices H$_2$O, CH$_4$, and NH$_3$. In their…
Using density-functional theory (DFT) we calculate the Gibbs free energy to determine the lowest-energy structure of a RuO_2(110) surface in thermodynamic equilibrium with an oxygen-rich environment. The traditionally assumed stoichiometric…